[(4-methyl-1,3-thiazol-2-yl)carbamoyl]formic acid

• ChemBase ID: 308269
• Molecular Formular: C6H6N2O3S
• Molecular Mass: 186.18844
• Monoisotopic Mass: 186.00991306
• SMILES: c1(NC(=O)C(=O)O)nc(cs1)C
• Canonical SMILES: Cc1csc(n1)NC(=O)C(=O)O
• InChI: InChI=1S/C6H6N2O3S/c1-3-2-12-6(7-3)8-4(9)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
• InChIKey: MBBULHVAUUGXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methyl-1,3-thiazol-2-yl)carbamoyl]formic acid
• IUPAC Traditional name: [(4-methyl-1,3-thiazol-2-yl)carbamoyl]formic acid
• Synonyms: [(4-methyl-1,3-thiazol-2-yl)amino](oxo)acetic acid

Database IDs

• CAS Number: 82514-68-9
• MDL Number: MFCD09971296

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6020381
• LogD (pH = 7.4): -2.879625
• Log P: 0.64496326
• Molar Refractivity: 41.9891 cm^3
• Polarizability: 15.522007 Å^3
• Polar Surface Area: 79.29 Å^2