2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine

• ChemBase ID: 308734
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: n1c(sc2c1CCC2)CCN
• Canonical SMILES: NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C8H12N2S/c9-5-4-8-10-6-2-1-3-7(6)11-8/h1-5,9H2
• InChIKey: GANVHFMPFZZVEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethanamine
• Synonyms: 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine

Database IDs

• CAS Number: 933698-13-6
• MDL Number: MFCD09904585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9021078
• LogD (pH = 7.4): -0.9187976
• Log P: 1.0820272
• Molar Refractivity: 46.1617 cm^3
• Polarizability: 17.864996 Å^3
• Polar Surface Area: 38.91 Å^2