3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

C23H21N5O4S — CID 55762796

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H21N5O4S/c29-22(18-7-4-9-20(15-18)28-12-5-13-33(28,31)32)24-19-8-3-6-17(14-19)16-27-23(30)26-11-2-1-10-21(26)25-27/h1-4,6-11,14-15H,5,12-13,16H2,(H,24,29)
InChIKeyYMBQBDOJSLVVKL-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.34
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (PubChem CID 55762796) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
PubChem CID55762796
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H21N5O4S/c29-22(18-7-4-9-20(15-18)28-12-5-13-33(28,31)32)24-19-8-3-6-17(14-19)16-27-23(30)26-11-2-1-10-21(26)25-27/h1-4,6-11,14-15H,5,12-13,16H2,(H,24,29)
InChIKeyYMBQBDOJSLVVKL-UHFFFAOYSA-N
XLogP2.34
TPSA105.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 154837809
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55814930
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55703024
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55763009
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
CID 98864202
1-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzotriazole-5-carboxamide
CID 100906120
4-(3-methylbenzoyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,4-diazepane-1-carboxamide
CID 154838064
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 55495018
4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide
CID 55962037

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (CID 55762796) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?
The InChIKey is YMBQBDOJSLVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c29-22(18-7-4-9-20(15-18)28-12-5-13-33(28,31)32)24-19-8-3-6-17(14-19)16-27-23(30)26-11-2-1-10-21(26)25-27/h1-4,6-11,14-15H,5,12-13,16H2,(H,24,29).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide has a molecular weight of 463.52 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55762796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).