N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}cyclopropanecarboxamide

• ChemBase ID: 116143
• Molecular Formular: C10H13N3OS
• Molecular Mass: 223.29472
• Monoisotopic Mass: 223.07793305
• SMILES: c1(nc2c(s1)CNCC2)NC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1nc2c(s1)CNCC2
• InChI: InChI=1S/C10H13N3OS/c14-9(6-1-2-6)13-10-12-7-3-4-11-5-8(7)15-10/h6,11H,1-5H2,(H,12,13,14)
• InChIKey: UCRIONVKVODQME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}cyclopropanecarboxamide
• Synonyms: N-(4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide hydrochloride

Database IDs

• PubChem SID: 162107019
• PubChem CID: 28274574

CALCULATED PROPERTIES

• Acid pKa: 10.72883
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1672418
• LogD (pH = 7.4): 0.5440823
• Log P: 1.0942954
• Molar Refractivity: 58.7658 cm^3
• Polarizability: 22.232454 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.496

Product Information

• Purity: 95+%
• Salt Data: HCl