N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine

• ChemBase ID: 268222
• Molecular Formular: C10H11N3S
• Molecular Mass: 205.27944
• Monoisotopic Mass: 205.06736837
• SMILES: n1c(csc1C)CNc1cnccc1
• Canonical SMILES: Cc1scc(n1)CNc1cccnc1
• InChI: InChI=1S/C10H11N3S/c1-8-13-10(7-14-8)6-12-9-3-2-4-11-5-9/h2-5,7,12H,6H2,1H3
• InChIKey: CQWOITUIDNHVGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
• IUPAC Traditional name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
• Synonyms: N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine

Database IDs

• MDL Number: MFCD11170613
• PubChem SID: 164324132
• PubChem CID: 28780778

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.617208
• LogD (pH = 7.4): 0.81277496
• Log P: 0.81615406
• Molar Refractivity: 57.8344 cm^3
• Polarizability: 21.540434 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.407

Product Information

• Purity: 95%