CAS 7210-76-6|ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate|Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate|Ethyl 2-amino-4-methylthiazole-5-c...

基本信息

化学结构

分子式

C₇H₁₀N₂O₂S

分子量

186.2315

精确质量

186.04629857

电荷

InChI

InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)

InChIKey

WZHUPCREDVWLKC-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(sc1C(=O)OCC)N

Isomeric Smiles

c1(c(nc(s1)N)C)C(=O)OCC

计算属性

JChem

Acid pKa

15.295504

质子受体

质子供体

LogD (pH = 5.5)

1.1108207

LogD (pH = 7.4)

1.1114491

Log P

1.1114571

摩尔折射率

46.5896

极化性

17.383913

极化表面积

65.21

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

别名

Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylateEthyl 2-amino-4-methylthiazole-5-carboxylate 98%2-Amino-4-methyl-thiazole-5-carboxylic acid ethyl esterEthyl 2-amino-4-methylthiazole-5-carboxylateEthyl 2-amino-4-methylthiazole-5-carboxylate2-氨基-4-甲基噻唑-5-甲酸乙酯

IUPAC标准名

ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID