CAS 64987-16-2|CAS 76629-18-0|Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate|methyl 2-(2-amino-1,3-thiazol-4-yl)acetate|methyl 2-(2-amino-1,3-thiazol-4-yl)acetate|(2-Amino-thiazol-4-yl)-acetic acid meth...

General Information

Structure

Molecular Formula

C₆H₈N₂O₂S

Molecular Mass

172.20492

Exact Mass

172.03064851

Charge

InChI

InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)

InChIKey

XTQKFBGFHDNUFY-UHFFFAOYSA-N

Canonic Smiles

COC(=O)Cc1csc(n1)N

Isomeric Smiles

n1c(scc1CC(=O)OC)N

Calculated Properties

JChem

Acid pKa

16.69953

H Acceptors

H Donor

LogD (pH = 5.5)

0.6169931

LogD (pH = 7.4)

0.65632856

Log P

0.65685534

Molar Refractivity

41.1448

Polarizability

15.64479

Polar Surface Area

65.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate(2-Amino-thiazol-4-yl)-acetic acid methyl esterMethyl 2-amino-4-thiazoleacetate2-氨基-4-噻唑乙酸甲酯(2-Amino-thiazol-4-yl)acetic acid methyl ester(2-Amino-thiazol-4-yl)-acetic acid methyl ester hydrochloride

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

64987-16-276629-18-0

MDL Number

MFCD00129969MFCD03086082

PubChem CID

738059