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

• ChemBase ID: 270762
• Molecular Formular: C11H13N3S2
• Molecular Mass: 251.37102
• Monoisotopic Mass: 251.05508943
• SMILES: c1(nc(c2sccc2)cs1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1scc(n1)c1cccs1
• InChI: InChI=1S/C11H13N3S2/c1-2-10(15-7-1)9-8-16-11(13-9)14-5-3-12-4-6-14/h1-2,7-8,12H,3-6H2
• InChIKey: DUZYSTIBPOZFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine
• IUPAC Traditional name: 1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine
• Synonyms: 1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine

Database IDs

• MDL Number: MFCD11592088
• PubChem SID: 164326672
• PubChem CID: 28296128

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20796569
• LogD (pH = 7.4): 1.4057195
• Log P: 2.6986277
• Molar Refractivity: 67.5778 cm^3
• Polarizability: 27.012371 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.512

Product Information

• Purity: 95%