1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

• ChemBase ID: 261527
• Molecular Formular: C9H15N3S
• Molecular Mass: 197.3005
• Monoisotopic Mass: 197.0986685
• SMILES: n1c(csc1)CN1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ncsc1
• InChI: InChI=1S/C9H15N3S/c10-8-1-3-12(4-2-8)5-9-6-13-7-11-9/h6-8H,1-5,10H2
• InChIKey: ZPKPHJNCLOOIBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
• Synonyms: 1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12137366
• PubChem SID: 164317437
• PubChem CID: 43556525

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8000982
• LogD (pH = 7.4): -2.8570275
• Log P: -0.13391495
• Molar Refractivity: 54.6687 cm^3
• Polarizability: 21.472322 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.474

Product Information

• Purity: 95%