4-amino-3-methyl-1,2-thiazole-5-carboxylic acid

C5H6N2O2S — CID 22831852

IUPAC4-amino-3-methyl-1,2-thiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)c1N
InChIInChI=1S/C5H6N2O2S/c1-2-3(6)4(5(8)9)10-7-2/h6H2,1H3,(H,8,9)
InChIKeyLBAJXFHZXYACIP-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.73
Rot. Bonds1

About 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid

4-amino-3-methyl-1,2-thiazole-5-carboxylic acid (PubChem CID 22831852) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-1,2-thiazole-5-carboxylic acid
PubChem CID22831852
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name4-amino-3-methyl-1,2-thiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)c1N
InChIInChI=1S/C5H6N2O2S/c1-2-3(6)4(5(8)9)10-7-2/h6H2,1H3,(H,8,9)
InChIKeyLBAJXFHZXYACIP-UHFFFAOYSA-N
XLogP0.73
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid (CID 22831852) is 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid is Cc1nsc(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is LBAJXFHZXYACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-2-3(6)4(5(8)9)10-7-2/h6H2,1H3,(H,8,9).
What are the key properties of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid?
4-amino-3-methyl-1,2-thiazole-5-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 22831852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).