(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C18H17N3OS — CID 6374159

IUPAC(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H17N3OS/c1-13-8-10-15(11-9-13)14(2)19-20-18-21(17(22)12-23-18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b19-14-,20-18-
InChIKeyIHSDVRXKPJEAJV-WNUSOHNRSA-N
MW323.42 g/mol
LogP3.86
Rot. Bonds3

About (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 6374159) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID6374159
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H17N3OS/c1-13-8-10-15(11-9-13)14(2)19-20-18-21(17(22)12-23-18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b19-14-,20-18-
InChIKeyIHSDVRXKPJEAJV-WNUSOHNRSA-N
XLogP3.86
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 6374159) is (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is IHSDVRXKPJEAJV-WNUSOHNRSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-8-10-15(11-9-13)14(2)19-20-18-21(17(22)12-23-18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b19-14-,20-18-.
What are the key properties of (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6374159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).