(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C17H10FN5O4S — CID 135491396

IUPAC(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H10FN5O4S/c18-9-1-3-10(4-2-9)22-14(24)8-28-17(22)21-20-15-12-7-11(23(26)27)5-6-13(12)19-16(15)25/h1-7H,8H2,(H,19,20,25)/b21-17+
InChIKeyJWSYSWWJAWCJGZ-HEHNFIMWSA-N
MW399.36 g/mol
LogP2.53
Rot. Bonds3

About (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135491396) has the molecular formula C17H10FN5O4S and a molecular weight of 399.36 g/mol. Its IUPAC name is (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135491396
Molecular FormulaC17H10FN5O4S
Molecular Weight399.36 g/mol
Exact Mass399.04
IUPAC Name(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H10FN5O4S/c18-9-1-3-10(4-2-9)22-14(24)8-28-17(22)21-20-15-12-7-11(23(26)27)5-6-13(12)19-16(15)25/h1-7H,8H2,(H,19,20,25)/b21-17+
InChIKeyJWSYSWWJAWCJGZ-HEHNFIMWSA-N
XLogP2.53
TPSA117.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135491396) is (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccc(F)cc1.
What is the InChIKey of (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JWSYSWWJAWCJGZ-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H10FN5O4S/c18-9-1-3-10(4-2-9)22-14(24)8-28-17(22)21-20-15-12-7-11(23(26)27)5-6-13(12)19-16(15)25/h1-7H,8H2,(H,19,20,25)/b21-17+.
What are the key properties of (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 399.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135491396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).