2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

C18H17N3O2S — CID 9120373

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESO=C(CN1CSCC1=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C18H17N3O2S/c22-17(11-21-13-24-12-18(21)23)20-16-6-3-4-14(10-16)7-8-15-5-1-2-9-19-15/h1-10H,11-13H2,(H,20,22)/b8-7+
InChIKeyLQCGBSIUCFDXOS-BQYQJAHWSA-N
MW339.42 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (PubChem CID 9120373) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
PubChem CID9120373
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESO=C(CN1CSCC1=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C18H17N3O2S/c22-17(11-21-13-24-12-18(21)23)20-16-6-3-4-14(10-16)7-8-15-5-1-2-9-19-15/h1-10H,11-13H2,(H,20,22)/b8-7+
InChIKeyLQCGBSIUCFDXOS-BQYQJAHWSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (CID 9120373) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is O=C(CN1CSCC1=O)Nc1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The InChIKey is LQCGBSIUCFDXOS-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(11-21-13-24-12-18(21)23)20-16-6-3-4-14(10-16)7-8-15-5-1-2-9-19-15/h1-10H,11-13H2,(H,20,22)/b8-7+.
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 9120373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).