N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

C24H23N5O4S2 — CID 23144743

About N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 23144743) has the molecular formula C24H23N5O4S2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 23144743
• Molecular Formula: C24H23N5O4S2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.12
• IUPAC Name: N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: CS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nc(-c4ccco4)c(-c4ccncc4)s3)CC2)nc1
• InChI: InChI=1S/C24H23N5O4S2/c1-35(31,32)18-4-5-20(26-15-18)29-12-8-17(9-13-29)23(30)28-24-27-21(19-3-2-14-33-19)22(34-24)16-6-10-25-11-7-16/h2-7,10-11,14-15,17H,8-9,12-13H2,1H3,(H,27,28,30)
• InChIKey: LWWGYMJYLSCMPM-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (CID 23144743) is N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is CS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nc(-c4ccco4)c(-c4ccncc4)s3)CC2)nc1.

What is the InChIKey of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is LWWGYMJYLSCMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S2/c1-35(31,32)18-4-5-20(26-15-18)29-12-8-17(9-13-29)23(30)28-24-27-21(19-3-2-14-33-19)22(34-24)16-6-10-25-11-7-16/h2-7,10-11,14-15,17H,8-9,12-13H2,1H3,(H,27,28,30).

What are the key properties of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?

N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 23144743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).