2-Amino-4-methyl-thiazole-5-carboxylic acid

CAS 67899-00-7 · C₅H₆N₂O₂S · MW 158.18 g/mol

关于 2-Amino-4-methyl-thiazole-5-carboxylic acid

2-Amino-4-methyl-thiazole-5-carboxylic acid 是一种化学品，登记号为 CAS 67899-00-7，分子式为 C₅H₆N₂O₂S，摩尔质量为 158.18 g/mol。

该分子包含 16 个原子，通过 16 个化学键连接。该化合物的完整系统 IUPAC 名称为 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 0.9 (正值，亲脂性化合物)，极性表面积 PSA = 104 Å²，2 个氢键供体和 5 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₅H₆N₂O₂S
Masa molowa	158.18 g/mol
IUPAC	2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
SMILES	`CC1=C(SC(=N1)N)C(=O)O`
InChIKey	`QCVFVGONDMKXEE-UHFFFAOYSA-N`
logP (XLogP3)	0.9
PSA	104 Å²
HBD / HBA	2 / 5
PubChem CID	CID 832243 ↗

GHS 安全

Signal word: Warning

GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

科学文献

Related literature

15 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (15 articles)

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1-{[Benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester

Leila Herrag, Rachid Touzani, Abdelkrim Ramdani et al. (2006) · Molbank

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Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2024)

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2‐Amino‐4‐(Trifluoromethyl)‐5‐Thiazole Carboxylic Acid Ethyl Ester 344‐72‐9

(2004) · Sax's Dangerous Properties of Industrial Materials

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3‐chloro‐5‐(((((4,6‐dimethoxy‐2‐pyrimidinyl)amino)carbonyl)amino)sulfonyl)‐1‐methyl‐1 h‐pyrazole‐4‐carboxylic Acid, Methyl Ester

(2007) · Hawley's Condensed Chemical Dictionary

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Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2023)

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Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(4-methoxybenzyl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2023)

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3‐Chloro‐5‐(((((4,6‐Dimethoxy‐2‐Pyrimidinyl)Amino)Carbonyl) Amino)Sulfonyl)‐1‐Methyl‐1H‐Pyrazole‐4‐Carboxylic Acid, Methyl Ester 100784‐20‐1

(2012) · Sax's Dangerous Properties of Industrial Materials

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ChemInform Abstract: Synthesis and Biological Activities of 2‐Amino‐thiazole‐5‐carboxylic Acid Phenylamide Derivatives.

Jinpei Zhou, et al. et al. (2011) · ChemInform

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Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2023)

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Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

A. Ehler, J. Benz, U. Obst et al. (2023) · Worldwide Protein Data Bank

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Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)

J.R. Horton, X. Cheng (2016)

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Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid

A. Ehler, J. Benz, U. Obst et al. (2023) · Worldwide Protein Data Bank

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4,5‐dihydro‐3‐(4‐chlorophenyl)‐4‐methyl‐1‐(((4‐(trifluoromethyl)phenyl)amino)carbonyl)‐1 h‐pyrazole‐4‐carboxylic Acid Methyl Ester

(2007) · Hawley's Condensed Chemical Dictionary

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Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2023) · Worldwide Protein Data Bank

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Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid

Y.-H. Yan, K.-R. Zhu, G.-B. Li (2023)

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

2-Amino-4-methyl-thiazole-5-carboxylic acid · RefChem:464328 · 675-849-9 · 2-Amino-4-methylthiazole-5-carboxylic acid · 67899-00-7 · 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid · MFCD01853938 · Oprea1_443956 · SCHEMBL179966 · WLZ4029 · ALBB-004691 · BBL005562 · SBB002141 · STK346806 · AKOS000303171

数据来源

📊 PubChem CID 832243 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność