CAS 32955-21-8|ethyl 2-amino-1,3-thiazole-5-carboxylate|ethyl 2-amino-1,3-thiazole-5-carboxylate|Ethyl 2-amino-1,3-thiazole-5-carboxylate|2-氨基噻唑-5-甲酸乙酯|Ethyl 2-aminothiazole-5-carboxylate|Et...

General Information

Structure

Molecular Formula

C₆H₈N₂O₂S

Molecular Mass

172.20492

Exact Mass

172.03064851

Charge

InChI

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

InChIKey

VNZXERIGKZNEKB-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cnc(s1)N

Isomeric Smiles

c1(sc(nc1)N)C(=O)OCC

Calculated Properties

JChem

Acid pKa

15.218181

H Acceptors

H Donor

LogD (pH = 5.5)

0.97925824

LogD (pH = 7.4)

0.98007655

Log P

0.980087

Molar Refractivity

41.9981

Polarizability

15.644987

Polar Surface Area

65.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

Ethyl 2-amino-1,3-thiazole-5-carboxylate2-氨基噻唑-5-甲酸乙酯Ethyl 2-aminothiazole-5-carboxylateEthyl 2-amino-1,3-thiazole-5-carboxylate 98%Ethyl 2-aminothiazole-5-carboxylate2-氨基噻唑-5-羧酸乙酯2-Aminothiazole-5-carboxylic acid ethyl ester2-amino-thiazole-5-carboxylic acid ethyl ester

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties