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

• ChemBase ID: 276898
• Molecular Formular: C7H8N2S
• Molecular Mass: 152.21682
• Monoisotopic Mass: 152.04081927
• SMILES: n1c(scc1C)C#CCN
• Canonical SMILES: Cc1csc(n1)C#CCN
• InChI: InChI=1S/C7H8N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,4,8H2,1H3
• InChIKey: VOIJURIKGKOMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382331
• PubChem SID: 164332808
• PubChem CID: 54594414

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8837799
• LogD (pH = 7.4): -0.24138993
• Log P: 0.7405661
• Molar Refractivity: 39.4404 cm^3
• Polarizability: 15.815933 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.103

Product Information

• Purity: 95%