2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C17H11ClN4O2S — CID 172865253

IUPAC2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc(Cl)cc2C1=NN=C1SCC(=O)N1c1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24)
InChIKeyZXCAGLIDGSSRBM-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.13
Rot. Bonds2

About 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 172865253) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID172865253
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc(Cl)cc2C1=NN=C1SCC(=O)N1c1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24)
InChIKeyZXCAGLIDGSSRBM-UHFFFAOYSA-N
XLogP3.13
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 172865253) is 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1Nc2ccc(Cl)cc2C1=NN=C1SCC(=O)N1c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is ZXCAGLIDGSSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24).
What are the key properties of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 370.82 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 172865253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).