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

C14H10N4O3S2 — CID 90675437

IUPAC(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1
InChIInChI=1S/C14H10N4O3S2/c19-12-9-22-14(17(12)10-4-2-1-3-5-10)16-15-8-11-6-7-13(23-11)18(20)21/h1-8H,9H2/b15-8+,16-14-
InChIKeyIFPUGJUTYJLIOE-VFDNREJYSA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds4

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

(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 90675437) has the molecular formula C14H10N4O3S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID90675437
Molecular FormulaC14H10N4O3S2
Molecular Weight346.39 g/mol
Exact Mass346.02
IUPAC Name(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1
InChIInChI=1S/C14H10N4O3S2/c19-12-9-22-14(17(12)10-4-2-1-3-5-10)16-15-8-11-6-7-13(23-11)18(20)21/h1-8H,9H2/b15-8+,16-14-
InChIKeyIFPUGJUTYJLIOE-VFDNREJYSA-N
XLogP3.13
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
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'}

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Related Compounds

2-[(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 4275292
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730
(2E)-2-[(E)-(4-acetyl-5-methyl-1H-pyrrol-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 135513334
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
CID 59813928
(5E)-5-[(5-nitrothiophen-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2175931
3-tert-butyl-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 4176872
2-(2-hydroxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 4149001
4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
CID 3677423
(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18884866
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 5175041
(2Z)-2-[(E)-(8-bromo-7-hydroxy-5-methoxy-2-methyl-4-oxochromen-6-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 135894449

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 90675437) is (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is IFPUGJUTYJLIOE-VFDNREJYSA-N. The full InChI is InChI=1S/C14H10N4O3S2/c19-12-9-22-14(17(12)10-4-2-1-3-5-10)16-15-8-11-6-7-13(23-11)18(20)21/h1-8H,9H2/b15-8+,16-14-.
What are the key properties of (2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.13, 4 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-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 90675437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).