2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethan-1-amine

• ChemBase ID: 306602
• Molecular Formular: C8H13N3S
• Molecular Mass: 183.27392
• Monoisotopic Mass: 183.08301843
• SMILES: c12=NCCCn1c(cs2)CCN
• Canonical SMILES: NCCc1csc2=NCCCn12
• InChI: InChI=1S/C8H13N3S/c9-3-2-7-6-12-8-10-4-1-5-11(7)8/h6H,1-5,9H2
• InChIKey: XIZHYBZMTMKWRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethan-1-amine
• IUPAC Traditional name: 2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethanamine
• Synonyms: 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethanamine

Database IDs

• CAS Number: 933697-87-1
• MDL Number: MFCD09971151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.831608
• LogD (pH = 7.4): -3.1100314
• Log P: -0.4418348
• Molar Refractivity: 53.9621 cm^3
• Polarizability: 20.243147 Å^3
• Polar Surface Area: 41.62 Å^2