[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine

• ChemBase ID: 307148
• Molecular Formular: C8H13N3S
• Molecular Mass: 183.27392
• Monoisotopic Mass: 183.08301843
• SMILES: c1(nc(cs1)CN)N1CCCC1
• Canonical SMILES: NCc1csc(n1)N1CCCC1
• InChI: InChI=1S/C8H13N3S/c9-5-7-6-12-8(10-7)11-3-1-2-4-11/h6H,1-5,9H2
• InChIKey: KIVGJSNEKIDRPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
• Synonyms: 1-[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• CAS Number: 1209952-47-5
• MDL Number: MFCD13188551

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5777564
• LogD (pH = 7.4): 0.068704896
• Log P: 1.0373702
• Molar Refractivity: 50.6605 cm^3
• Polarizability: 19.24637 Å^3
• Polar Surface Area: 42.15 Å^2