4-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

• ChemBase ID: 268792
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(scc1C)CCCCN
• Canonical SMILES: Cc1csc(n1)CCCCN
• InChI: InChI=1S/C8H14N2S/c1-7-6-11-8(10-7)4-2-3-5-9/h6H,2-5,9H2,1H3
• InChIKey: ZQDYXYWQOLYQDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
• IUPAC Traditional name: 4-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
• Synonyms: 4-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

Database IDs

• MDL Number: MFCD10003219
• PubChem SID: 164324702
• PubChem CID: 24274703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0940847
• LogD (pH = 7.4): -1.6714203
• Log P: 0.93258625
• Molar Refractivity: 47.7137 cm^3
• Polarizability: 18.667988 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.184

Product Information

• Purity: 95%