4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine hydrochloride

• ChemBase ID: 236848
• Molecular Formular: C8H12Cl2N2S
• Molecular Mass: 239.16528
• Monoisotopic Mass: 238.00982475
• SMILES: c1(nc(cs1)CCl)N(C1CC1)C.Cl
• Canonical SMILES: ClCc1csc(n1)N(C1CC1)C.Cl
• InChI: InChI=1S/C8H11ClN2S.ClH/c1-11(7-2-3-7)8-10-6(4-9)5-12-8;/h5,7H,2-4H2,1H3;1H
• InChIKey: KVPHISUKTQPYSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine hydrochloride
• IUPAC Traditional name: 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine hydrochloride
• Synonyms: 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22369863
• PubChem SID: 164292758
• PubChem CID: 71755793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.558237
• LogD (pH = 7.4): 2.5586064
• Log P: 2.558611
• Molar Refractivity: 51.7242 cm^3
• Polarizability: 19.588219 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.389

Product Information

• Purity: 95%