4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 281894
• Molecular Formular: C6H11N3S
• Molecular Mass: 157.23664
• Monoisotopic Mass: 157.06736837
• SMILES: c1(nc(cs1)CN)N(C)C
• Canonical SMILES: NCc1csc(n1)N(C)C
• InChI: InChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3
• InChIKey: IOXPXNBQZCSGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• Synonyms: 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 1023818-77-0
• MDL Number: MFCD09880808
• PubChem SID: 180667425
• PubChem CID: 28948815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9846057
• LogD (pH = 7.4): -0.33860293
• Log P: 0.6315728
• Molar Refractivity: 43.1195 cm^3
• Polarizability: 16.295582 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.195

Product Information

• Purity: 95%