(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C18H14N4O2S — CID 135725169

IUPAC(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H14N4O2S/c1-11-6-8-12(9-7-11)22-15(23)10-25-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-
InChIKeyHHJRCEDNXGHDGF-UZYVYHOESA-N
MW350.40 g/mol
LogP2.79
Rot. Bonds2

About (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135725169) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135725169
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H14N4O2S/c1-11-6-8-12(9-7-11)22-15(23)10-25-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-
InChIKeyHHJRCEDNXGHDGF-UZYVYHOESA-N
XLogP2.79
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.79
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 (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135725169) is (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HHJRCEDNXGHDGF-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-6-8-12(9-7-11)22-15(23)10-25-18(22)21-20-16-13-4-2-3-5-14(13)19-17(16)24/h2-9H,10H2,1H3,(H,19,20,24)/b21-18-.
What are the key properties of (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 350.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135725169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).