(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C11H10N4O3S2 — CID 90675433

IUPAC(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N\N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H10N4O3S2/c1-2-5-14-9(16)7-19-11(14)13-12-6-8-3-4-10(20-8)15(17)18/h2-4,6H,1,5,7H2/b12-6+,13-11-
InChIKeyGWYQPAXYSPQNHF-BLZREXABSA-N
MW310.36 g/mol
LogP2.11
Rot. Bonds5

About (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 90675433) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID90675433
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N\N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H10N4O3S2/c1-2-5-14-9(16)7-19-11(14)13-12-6-8-3-4-10(20-8)15(17)18/h2-4,6H,1,5,7H2/b12-6+,13-11-
InChIKeyGWYQPAXYSPQNHF-BLZREXABSA-N
XLogP2.11
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-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

Related Compounds

(2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 90675435
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675441
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 118718852
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 90675437
N-[2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-N-prop-2-enylacetamide
CID 90675467
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136498867
3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9554804
3-[(5-Nitrothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 304625
3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6303913
3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one
CID 167201293
3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 14726604

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 90675433) is (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N\N=C\c1ccc([N+](=O)[O-])s1.
What is the InChIKey of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is GWYQPAXYSPQNHF-BLZREXABSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c1-2-5-14-9(16)7-19-11(14)13-12-6-8-3-4-10(20-8)15(17)18/h2-4,6H,1,5,7H2/b12-6+,13-11-.
What are the key properties of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 90675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).