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

C16H14N4O3S2 — CID 127039843

IUPAC(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C16H14N4O3S2/c1-11(14-3-2-8-24-14)17-18-16-19(15(21)10-25-16)9-12-4-6-13(7-5-12)20(22)23/h2-8H,9-10H2,1H3/b17-11+,18-16-
InChIKeyMAAVYOWNWLFNEW-UNEKJRSWSA-N
MW374.45 g/mol
LogP3.51
Rot. Bonds5

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

(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127039843) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127039843
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C16H14N4O3S2/c1-11(14-3-2-8-24-14)17-18-16-19(15(21)10-25-16)9-12-4-6-13(7-5-12)20(22)23/h2-8H,9-10H2,1H3/b17-11+,18-16-
InChIKeyMAAVYOWNWLFNEW-UNEKJRSWSA-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'}

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Related Compounds

1-acetyl-5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2960534
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675446
(E)-4-(4-nitrophenyl)-N-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675455
(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713909
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 90675437
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675445
(E)-4-(4-nitrophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675462
(2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127037986
(2Z)-2-[(E)-(2-methylcyclopentylidene)hydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127039067
(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127039380
(2Z)-3-[(4-nitrophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127039523
(2Z)-2-[(E)-butan-2-ylidenehydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127039524

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127039843) is (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MAAVYOWNWLFNEW-UNEKJRSWSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-11(14-3-2-8-24-14)17-18-16-19(15(21)10-25-16)9-12-4-6-13(7-5-12)20(22)23/h2-8H,9-10H2,1H3/b17-11+,18-16-.
What are the key properties of (2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-nitrophenyl)methyl]-2-[(E)-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-[(4-nitrophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127039843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).