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

C23H24N6O3S — CID 23144424

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

1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 23144424) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 23144424
• Molecular Formula: C23H24N6O3S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.16
• IUPAC Name: 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: N#Cc1ccc(N2CCC(C(=O)Nc3nc(-c4ccco4)c(N4CCOCC4)s3)CC2)nc1
• InChI: InChI=1S/C23H24N6O3S/c24-14-16-3-4-19(25-15-16)28-7-5-17(6-8-28)21(30)27-23-26-20(18-2-1-11-32-18)22(33-23)29-9-12-31-13-10-29/h1-4,11,15,17H,5-10,12-13H2,(H,26,27,30)
• InChIKey: MQYZBBXYBODCOW-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 107.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 23144424) is 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3nc(-c4ccco4)c(N4CCOCC4)s3)CC2)nc1.

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

The InChIKey is MQYZBBXYBODCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c24-14-16-3-4-19(25-15-16)28-7-5-17(6-8-28)21(30)27-23-26-20(18-2-1-11-32-18)22(33-23)29-9-12-31-13-10-29/h1-4,11,15,17H,5-10,12-13H2,(H,26,27,30).

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

1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyano-2-pyridinyl)-N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 23144424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).