3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide

C24H21N5O3S — CID 55698056

About 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55698056) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 55698056
• Molecular Formula: C24H21N5O3S
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.14
• IUPAC Name: 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CSCN1C(=O)c1ccccc1
• InChI: InChI=1S/C24H21N5O3S/c30-22(20-15-33-16-28(20)23(31)18-8-2-1-3-9-18)25-19-10-6-7-17(13-19)14-29-24(32)27-12-5-4-11-21(27)26-29/h1-13,20H,14-16H2,(H,25,30)
• InChIKey: QFJGIOFFAHZBFU-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 88.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide (CID 55698056) is 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CSCN1C(=O)c1ccccc1.

What is the InChIKey of 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is QFJGIOFFAHZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-22(20-15-33-16-28(20)23(31)18-8-2-1-3-9-18)25-19-10-6-7-17(13-19)14-29-24(32)27-12-5-4-11-21(27)26-29/h1-13,20H,14-16H2,(H,25,30).

What are the key properties of 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide?

3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55698056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).