5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine

• ChemBase ID: 24731
• Molecular Formular: C6H9N3S
• Molecular Mass: 155.22076
• Monoisotopic Mass: 155.0517183
• SMILES: c12=NCCn1c(cs2)CN
• Canonical SMILES: NCc1csc2=NCCn12
• InChI: InChI=1S/C6H9N3S/c7-3-5-4-10-6-8-1-2-9(5)6/h4H,1-3,7H2
• InChIKey: KLSGPRPKBJAGET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine
• IUPAC Traditional name: 5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine
• Synonyms: (5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)amine; 1-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-methanamine

Database IDs

• CAS Number: 912771-25-6
• MDL Number: MFCD09702699
• PubChem SID: 160988038
• PubChem CID: 20982924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.944089
• LogD (pH = 7.4): -1.9325222
• Log P: -0.5617543
• Molar Refractivity: 44.2313 cm^3
• Polarizability: 16.562393 Å^3
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false