2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

C17H15N5O2S — CID 135455137

IUPAC2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H15N5O2S/c23-15(20-13-6-2-1-3-7-13)9-14-16(24)21-17(25-14)22-19-11-12-5-4-8-18-10-12/h1-8,10-11,14H,9H2,(H,20,23)(H,21,22,24)/b19-11+
InChIKeyZFKXGXYATMMFQR-YBFXNURJSA-N
MW353.41 g/mol
LogP2.03
Rot. Bonds5

About 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135455137) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135455137
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H15N5O2S/c23-15(20-13-6-2-1-3-7-13)9-14-16(24)21-17(25-14)22-19-11-12-5-4-8-18-10-12/h1-8,10-11,14H,9H2,(H,20,23)(H,21,22,24)/b19-11+
InChIKeyZFKXGXYATMMFQR-YBFXNURJSA-N
XLogP2.03
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135455137) is 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ZFKXGXYATMMFQR-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-15(20-13-6-2-1-3-7-13)9-14-16(24)21-17(25-14)22-19-11-12-5-4-8-18-10-12/h1-8,10-11,14H,9H2,(H,20,23)(H,21,22,24)/b19-11+.
What are the key properties of 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 353.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135455137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).