(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14N4O3S2 — CID 127051676

IUPAC(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C16H14N4O3S2/c1-11(14-7-4-8-24-14)17-18-16-19(15(21)10-25-16)9-12-5-2-3-6-13(12)20(22)23/h2-8H,9-10H2,1H3/b17-11-,18-16-
InChIKeyQYGWNEOJPDHJKO-QKMSWXIDSA-N
MW374.45 g/mol
LogP3.51
Rot. Bonds5

About (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127051676) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127051676
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C16H14N4O3S2/c1-11(14-7-4-8-24-14)17-18-16-19(15(21)10-25-16)9-12-5-2-3-6-13(12)20(22)23/h2-8H,9-10H2,1H3/b17-11-,18-16-
InChIKeyQYGWNEOJPDHJKO-QKMSWXIDSA-N
XLogP3.51
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127051676) is (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1.
What is the InChIKey of (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QYGWNEOJPDHJKO-QKMSWXIDSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-11(14-7-4-8-24-14)17-18-16-19(15(21)10-25-16)9-12-5-2-3-6-13(12)20(22)23/h2-8H,9-10H2,1H3/b17-11-,18-16-.
What are the key properties of (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 374.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-nitrophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).