[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

C27H24N4OS2 — CID 25406074

About [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (PubChem CID 25406074) has the molecular formula C27H24N4OS2 and a molecular weight of 484.65 g/mol. Its IUPAC name is [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
• PubChem CID: 25406074
• Molecular Formula: C27H24N4OS2
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.14
• IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
• SMILES: O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC[C@H](c2nc3ccccc3s2)C1
• InChI: InChI=1S/C27H24N4OS2/c32-27(31-15-7-8-19(16-31)26-29-22-10-2-4-12-24(22)34-26)21-9-1-3-11-23(21)33-18-20-17-30-14-6-5-13-25(30)28-20/h1-6,9-14,17,19H,7-8,15-16,18H2/t19-/m0/s1
• InChIKey: CXUVEFXDIJUKEV-IBGZPJMESA-N
• XLogP: 6.26
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?

The IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (CID 25406074) is [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.

What is the SMILES notation for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?

The canonical SMILES for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC[C@H](c2nc3ccccc3s2)C1.

What is the InChIKey of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?

The InChIKey is CXUVEFXDIJUKEV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N4OS2/c32-27(31-15-7-8-19(16-31)26-29-22-10-2-4-12-24(22)34-26)21-9-1-3-11-23(21)33-18-20-17-30-14-6-5-13-25(30)28-20/h1-6,9-14,17,19H,7-8,15-16,18H2/t19-/m0/s1.

What are the key properties of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 484.65 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 25406074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).