4-cyclopropyl-1,3-thiazol-2-amine

• ChemBase ID: 26854
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: n1c(C2CC2)csc1N
• Canonical SMILES: Nc1scc(n1)C1CC1
• InChI: InChI=1S/C6H8N2S/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8)
• InChIKey: FGPNVCRMNYEMEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-cyclopropyl-1,3-thiazol-2-amine
• Synonyms: 4-Cyclopropyl-1,3-thiazol-2-amine; 4-Cyclopropyl-1,3-thiazol-2-amine; 2-Amino-4-cyclopropyl-1,3-thiazole; 4-CYCLOPROPYL-2-THIAZOLAMINE

Database IDs

• CAS Number: 324579-90-0
• MDL Number: MFCD01571854
• PubChem SID: 160990161
• PubChem CID: 674456

CALCULATED PROPERTIES

• Acid pKa: 16.929804
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3221402
• LogD (pH = 7.4): 1.397473
• Log P: 1.398529
• Molar Refractivity: 37.4308 cm^3
• Polarizability: 13.970615 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Partition Coefficient: 0.777
• Hydrophobicity(logP): 1.172

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%