(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H11ClN2O3S2 — CID 2286914

IUPAC(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClN2O3S2/c1-10-5-6-11(7-14(10)20(22)23)8-15-16(21)19(17(24)25-15)13-4-2-3-12(18)9-13/h2-9H,1H3/b15-8-
InChIKeyRJMGQXYYDCHYLE-NVNXTCNLSA-N
MW390.87 g/mol
LogP4.96
Rot. Bonds3

About (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2286914) has the molecular formula C17H11ClN2O3S2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2286914
Molecular FormulaC17H11ClN2O3S2
Molecular Weight390.87 g/mol
Exact Mass389.99
IUPAC Name(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClN2O3S2/c1-10-5-6-11(7-14(10)20(22)23)8-15-16(21)19(17(24)25-15)13-4-2-3-12(18)9-13/h2-9H,1H3/b15-8-
InChIKeyRJMGQXYYDCHYLE-NVNXTCNLSA-N
XLogP4.96
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', '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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2286914) is (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RJMGQXYYDCHYLE-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11ClN2O3S2/c1-10-5-6-11(7-14(10)20(22)23)8-15-16(21)19(17(24)25-15)13-4-2-3-12(18)9-13/h2-9H,1H3/b15-8-.
What are the key properties of (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 390.87 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-chlorophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2286914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).