4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-amine

• ChemBase ID: 120599
• Molecular Formular: C13H15N3O3S2
• Molecular Mass: 325.4065
• Monoisotopic Mass: 325.05548336
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(c2nc(sc2)N)cc1
• Canonical SMILES: Nc1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C13H15N3O3S2/c14-13-15-12(9-20-13)10-1-3-11(4-2-10)21(17,18)16-5-7-19-8-6-16/h1-4,9H,5-8H2,(H2,14,15)
• InChIKey: IPQNENJJWDNXJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-amine
• Synonyms: 4-(4-(morpholinosulfonyl)phenyl)thiazol-2-amine

Database IDs

• PubChem SID: 162214952
• PubChem CID: 756550

CALCULATED PROPERTIES

• Molar Refractivity: 81.2301 cm^3
• Polarizability: 32.819103 Å^3
• Polar Surface Area: 85.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.6914
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3401661
• LogD (pH = 7.4): 1.3551265
• Log P: 1.3553208