N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C25H23N5O3S — CID 23144406

About N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 23144406) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 23144406
• Molecular Formula: C25H23N5O3S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.15
• IUPAC Name: N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(c1ccccn1)c1sc(NC(=O)C2CCN(Cc3ccncc3)CC2)nc1-c1ccco1
• InChI: InChI=1S/C25H23N5O3S/c31-22(19-4-1-2-10-27-19)23-21(20-5-3-15-33-20)28-25(34-23)29-24(32)18-8-13-30(14-9-18)16-17-6-11-26-12-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2,(H,28,29,32)
• InChIKey: LMDZZAKGCIMJEF-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 23144406) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is O=C(c1ccccn1)c1sc(NC(=O)C2CCN(Cc3ccncc3)CC2)nc1-c1ccco1.

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

The InChIKey is LMDZZAKGCIMJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-22(19-4-1-2-10-27-19)23-21(20-5-3-15-33-20)28-25(34-23)29-24(32)18-8-13-30(14-9-18)16-17-6-11-26-12-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2,(H,28,29,32).

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

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 23144406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).