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...

General Information

Structure

Molecular Formula

C₇H₁₀N₂O₂S

Molecular Mass

186.2315

Exact Mass

186.04629857

Charge

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

Calculated Properties

JChem

Acid pKa

15.295504

H Acceptors

H Donor

LogD (pH = 5.5)

1.1108207

LogD (pH = 7.4)

1.1114491

Log P

1.1114571

Molar Refractivity

46.5896

Polarizability

17.383913

Polar Surface Area

65.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

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 name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID