2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

• ChemBase ID: 238194
• Molecular Formular: C12H11ClN2S
• Molecular Mass: 250.74714
• Monoisotopic Mass: 250.03314704
• SMILES: n1c(sc2c1CCNC2)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1nc2c(s1)CNCC2
• InChI: InChI=1S/C12H11ClN2S/c13-9-3-1-2-8(6-9)12-15-10-4-5-14-7-11(10)16-12/h1-3,6,14H,4-5,7H2
• InChIKey: CSWQEVFZLHCJDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• IUPAC Traditional name: 2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• Synonyms: 2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

Database IDs

• MDL Number: MFCD16794799
• PubChem SID: 164294104
• PubChem CID: 62548259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17131722
• LogD (pH = 7.4): 1.8217139
• Log P: 3.0213537
• Molar Refractivity: 76.9367 cm^3
• Polarizability: 26.478182 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.757

Product Information

• Purity: 95%