[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine

• ChemBase ID: 80578
• Molecular Formular: C8H8N2S2
• Molecular Mass: 196.29252
• Monoisotopic Mass: 196.01289027
• SMILES: n1c(c2cccs2)scc1CN
• Canonical SMILES: NCc1csc(n1)c1cccs1
• InChI: InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
• InChIKey: VZBJIPJKJKKWPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
• Synonyms: [2-(Thien-2-yl)-1,3-thiazol-4-yl]methylamine; 4-(Aminomethyl)-2-(thien-2-yl)-1,3-thiazole; [2-(2-thienyl)-1,3-thiazol-4-yl]methylamine; 1-[2-(2-thienyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• CAS Number: 321309-35-7
• MDL Number: MFCD02682000
• PubChem SID: 162067698
• PubChem CID: 2776321

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9152079
• LogD (pH = 7.4): 0.7527097
• Log P: 1.6411972
• Molar Refractivity: 61.2091 cm^3
• Polarizability: 20.420118 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%