chempirical

Methyl 4-amino-1,3-thiazole-5-carboxylate

C5H6N2O2SCAS 278183-10-1158.17 g/mol

Open in Covalent MOL file
OONSH2N
EsterPrimary amine

Properties

Molecular formula
C5H6N2O2S
Molar mass
158.17 g/mol
Exact mass
158.0150 Da
logP
0.51Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
278183-10-1
SMILES
COC(=O)C1=C(N=CS1)N
InChIKey
XQVJYGMYJCSUNF-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)7-2-10-3/h2H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 5-Thiazolecarboxylic acid, 4-amino-, methyl ester

Work with Methyl 4-amino-1,3-thiazole-5-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-3-(methoxycarbonyl)pyrazine16298-03-651 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-451 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-349 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-148 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-148 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-445 % similar Methyl 1,3-thiazole-5-carboxylate14527-44-745 % similar Methyl thiazole-2-carboxylate55842-56-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-3 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-2 2-Amino-4-thiazoleacetic acid29676-71-9 Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook