2-(azetidin-3-yl)-1,3-thiazole

• ChemBase ID: 309195
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: c1(nccs1)C1CNC1
• Canonical SMILES: N1CC(C1)c1nccs1
• InChI: InChI=1S/C6H8N2S/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2
• InChIKey: VCKBXHAINCMQCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azetidin-3-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(azetidin-3-yl)-1,3-thiazole
• Synonyms: 2-(3-azetidinyl)-1,3-thiazole

Database IDs

• CAS Number: 1308384-56-6
• MDL Number: MFCD10000580

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8678472
• LogD (pH = 7.4): -1.6645322
• Log P: 0.2813588
• Molar Refractivity: 36.6287 cm^3
• Polarizability: 14.354027 Å^3
• Polar Surface Area: 24.92 Å^2