Methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetate 分子结构式
HCID2763571

Methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetate

C7H10N2O2S186.23 g/molCAS 259654-73-4

IDENTITY

结构与身份

标准SMILES
COC(=O)Cc1nc(N)sc1C
InChIKey
LJTGLNPZNUZMIZ-UHFFFAOYSA-N
分子式
C7H10N2O2S
平均分子量
186.23 g/mol
单同位素质量
186.04629874

COMPUTED

结构计算性质

已同步
XLogP
0.8
极性表面积
93.5 Ų
氢键供体
1
氢键受体
5
可旋转键
3
重原子
12
形式电荷
0
复杂度
177

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%)

ALIASES

名称与别名

共 25 条
259654-73-4methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetateDTXSID80377025RefChem:813222DTXCID40328053methyl 2-(2-amino-5-methylthiazol-4-yl)acetateMethyl 2-(2-Amino-5-methyl-4-thiazolyl)acetate4-Thiazoleacetic acid, 2-amino-5-methyl-, methyl esterMETHYL (2-AMINO-5-METHYL-1,3-THIAZOL-4-YL)ACETATEMFCD00662517Methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-acetatemethyl 2-(2-amino-5-methyl-thiazol-4-yl)acetateSCHEMBL750253LJTGLNPZNUZMIZ-UHFFFAOYSA-NSBB090454AKOS005070125DA-07595SY027964CS-0153468methyl2-(2-amino-5-methylthiazol-4-yl)acetate

REACTIONS

相关反应

12
HRID 181585 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 821710 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID 822724 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID 1202581 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看
HRID 1435606 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07618961B2

查看
HRID 1435686 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07618961B2

查看
HRID 1435687 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07618961B2

查看
HRID 1435688 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07618961B2

查看