CAS 152239-46-8|3-(3-methyl-1,2-thiazol-5-yl)-1-(1-methyl-1H-indol-5-yl)urea|SB-204,741|3-(3-methyl-1,2-thiazol-5-yl)-1-(1-methylindol-5-yl)urea|SB-204,741|SB 204741|N-(1-Methyl-1H-5-indolyl)-N′-(3...

基本信息

化学结构

分子式

C₁₄H₁₄N₄OS

分子量

286.35216

精确质量

286.08883209

电荷

InChI

InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)

InChIKey

USFUFHFQWXDVMH-UHFFFAOYSA-N

Canonic Smiles

O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C

Isomeric Smiles

c1c(C)nsc1NC(=O)Nc1ccc2n(C)ccc2c1

计算属性

JChem

LogD (pH = 7.4)

2.39

LogD (pH = 5.5)

2.70

Log P

2.71

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

7.32

极化表面积

58.95

极化性

28.95

摩尔折射率

81.73

LOG S

-3.21

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

3-(3-methyl-1,2-thiazol-5-yl)-1-(1-methyl-1H-indol-5-yl)urea 1-(3-methyl-1,2-thiazol-5-yl)-3-(1-methyl-1H-indol-5-yl)urea

别名

SB-204,741SB-204,741SB 204741N-(1-Methyl-1H-5-indolyl)-N′-(3-methyl-5-isothiazolyl)urea1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)ureaN-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)ureaSB 2047413-(3-methyl-1,2-thiazol-5-yl)-1-(1-methylindol-5-yl)ureaSB204741N-(1-methyl-1H-5-indolyl)-N'-(3-methyl-5-isothiazolyl)ureaSB-204741

IUPAC传统名

3-(3-methyl-1,2-thiazol-5-yl)-1-(1-methylindol-5-yl)urea 1-(3-methyl-1,2-thiazol-5-yl)-3-(1-methylindol-5-yl)urea

名称和标识

数据登录号

IUPHAR配体索引

维基百科标题

PubChem CID

CAS号