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

C5H6N2O2S — CID 53408092

IUPACmethyl 5-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1N
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,6H2,1H3
InChIKeyOTNJGCAOEGZZMM-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.51
Rot. Bonds1

About methyl 5-amino-1,3-thiazole-4-carboxylate

methyl 5-amino-1,3-thiazole-4-carboxylate (PubChem CID 53408092) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is methyl 5-amino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1,3-thiazole-4-carboxylate
PubChem CID53408092
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Namemethyl 5-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1N
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,6H2,1H3
InChIKeyOTNJGCAOEGZZMM-UHFFFAOYSA-N
XLogP0.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-1,3-thiazole-4-carboxylate
CID 40787018
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
4-methoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 117214962
(5-amino-1,3-thiazol-4-yl)-methylsulfonylmethanone
CID 117214820
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
CID 160713620
CID 160713620
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-benzyl-1,3-thiazole-4-carboxylate
CID 86069782
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 53271143

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1,3-thiazole-4-carboxylate (CID 53408092) is methyl 5-amino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1N.
What is the InChIKey of methyl 5-amino-1,3-thiazole-4-carboxylate?
The InChIKey is OTNJGCAOEGZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,6H2,1H3.
What are the key properties of methyl 5-amino-1,3-thiazole-4-carboxylate?
methyl 5-amino-1,3-thiazole-4-carboxylate has a molecular weight of 158.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53408092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).