phenyl N-(1,3-thiazol-2-yl)carbamate

• ChemBase ID: 253171
• Molecular Formular: C10H8N2O2S
• Molecular Mass: 220.24772
• Monoisotopic Mass: 220.03064851
• SMILES: c1(NC(=O)Oc2ccccc2)nccs1
• Canonical SMILES: O=C(Nc1nccs1)Oc1ccccc1
• InChI: InChI=1S/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
• InChIKey: CXVVRXLSXHPYDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(1,3-thiazol-2-yl)carbamate
• IUPAC Traditional name: phenyl N-(1,3-thiazol-2-yl)carbamate
• Synonyms: phenyl 1,3-thiazol-2-ylcarbamate

Database IDs

• CAS Number: 39142-40-0
• MDL Number: MFCD00584342
• PubChem SID: 164309081
• PubChem CID: 651148

CALCULATED PROPERTIES

• Acid pKa: 12.050244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8311872
• LogD (pH = 7.4): 2.8312385
• Log P: 2.8312485
• Molar Refractivity: 57.0039 cm^3
• Polarizability: 21.462317 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.342

Product Information

• Purity: 95%