4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine

• ChemBase ID: 118279
• Molecular Formular: C10H15N3S
• Molecular Mass: 209.3112
• Monoisotopic Mass: 209.0986685
• SMILES: s1c(nnc1C1CCNCC1)C1CC1
• Canonical SMILES: N1CCC(CC1)c1nnc(s1)C1CC1
• InChI: InChI=1S/C10H15N3S/c1-2-7(1)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2
• InChIKey: HSUASORYCIOYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine
• IUPAC Traditional name: 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine
• Synonyms: 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine

Database IDs

• MDL Number: MFCD16653388
• PubChem SID: 162089758
• PubChem CID: 33680275

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.329363
• LogD (pH = 7.4): -1.4825152
• Log P: 0.87779546
• Molar Refractivity: 58.1014 cm^3
• Polarizability: 21.892921 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.03

Product Information

• Purity: 95+%