(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

C23H27N3O2S — CID 25374621

About (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 25374621) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 25374621
• Molecular Formula: C23H27N3O2S
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.18
• IUPAC Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)c1csc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1
• InChI: InChI=1S/C23H27N3O2S/c1-16(2)20-15-29-22(25-20)14-26-11-3-5-18(13-26)23(27)24-19-9-7-17(8-10-19)21-6-4-12-28-21/h4,6-10,12,15-16,18H,3,5,11,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1
• InChIKey: CDWYDAWLSQTOKC-SFHVURJKSA-N
• XLogP: 5.38
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (CID 25374621) is (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is CC(C)c1csc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1.

What is the InChIKey of (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?

The InChIKey is CDWYDAWLSQTOKC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16(2)20-15-29-22(25-20)14-26-11-3-5-18(13-26)23(27)24-19-9-7-17(8-10-19)21-6-4-12-28-21/h4,6-10,12,15-16,18H,3,5,11,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1.

What are the key properties of (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?

(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 25374621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).