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

• ChemBase ID: 116147
• Molecular Formular: C11H11N5OS
• Molecular Mass: 261.30294
• Monoisotopic Mass: 261.068431
• SMILES: c1(nc2c(s1)CNCC2)NC(=O)c1nccnc1
• Canonical SMILES: O=C(c1cnccn1)Nc1nc2c(s1)CNCC2
• InChI: InChI=1S/C11H11N5OS/c17-10(8-5-13-3-4-14-8)16-11-15-7-1-2-12-6-9(7)18-11/h3-5,12H,1-2,6H2,(H,15,16,17)
• InChIKey: LOHZHKZPFIBZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162107052
• PubChem CID: 43593237

CALCULATED PROPERTIES

• Acid pKa: 8.263781
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.1273758
• LogD (pH = 7.4): -0.51094663
• Log P: -0.36136252
• Molar Refractivity: 67.3513 cm^3
• Polarizability: 25.250586 Å^3
• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.50147

Product Information

• Purity: 95+%
• Salt Data: HCl