(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one

C16H10N4O6S — CID 137165806

IUPAC(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\C=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N4O6S/c21-15-13(7-3-4-10-8-9-14(26-10)20(24)25)27-16(18-15)17-11-5-1-2-6-12(11)19(22)23/h1-9H,(H,17,18,21)/b4-3+,13-7-
InChIKeyANCLPZQWXGISKX-ZPGGVYHDSA-N
MW386.35 g/mol
LogP3.54
Rot. Bonds5

About (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137165806) has the molecular formula C16H10N4O6S and a molecular weight of 386.35 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137165806
Molecular FormulaC16H10N4O6S
Molecular Weight386.35 g/mol
Exact Mass386.03
IUPAC Name(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\C=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N4O6S/c21-15-13(7-3-4-10-8-9-14(26-10)20(24)25)27-16(18-15)17-11-5-1-2-6-12(11)19(22)23/h1-9H,(H,17,18,21)/b4-3+,13-7-
InChIKeyANCLPZQWXGISKX-ZPGGVYHDSA-N
XLogP3.54
TPSA140.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165858
(5Z)-2-(2-hydroxyethylimino)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 137166239
(5Z)-2-(2-fluorophenyl)imino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137162488
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165816
(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135789836
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165818
(5E)-2-naphthalen-1-ylimino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844526
(5E)-3-methyl-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6306364
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
(5E)-3-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-5-[(Z)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713118
2-(3,5-dimethylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135452175

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one (CID 137165806) is (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\C=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ANCLPZQWXGISKX-ZPGGVYHDSA-N. The full InChI is InChI=1S/C16H10N4O6S/c21-15-13(7-3-4-10-8-9-14(26-10)20(24)25)27-16(18-15)17-11-5-1-2-6-12(11)19(22)23/h1-9H,(H,17,18,21)/b4-3+,13-7-.
What are the key properties of (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 386.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).