(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

C22H18N2OS — CID 135563218

IUPAC(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3cccc4ccccc34)NC2=O)cc1
InChIInChI=1S/C22H18N2OS/c1-2-15-10-12-16(13-11-15)14-20-21(25)24-22(26-20)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,23,24,25)/b20-14-
InChIKeyQITCVXCJNAQNPO-ZHZULCJRSA-N
MW358.47 g/mol
LogP5.29
Rot. Bonds3

About (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 135563218) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID135563218
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3cccc4ccccc34)NC2=O)cc1
InChIInChI=1S/C22H18N2OS/c1-2-15-10-12-16(13-11-15)14-20-21(25)24-22(26-20)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,23,24,25)/b20-14-
InChIKeyQITCVXCJNAQNPO-ZHZULCJRSA-N
XLogP5.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-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

Related Compounds

(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135421075
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043
2-naphthalen-1-ylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523457
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563198
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
(5Z)-2-(4-ethylphenyl)imino-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137044187
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
3-[[5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483260

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 135563218) is (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is CCc1ccc(/C=C2\S/C(=N/c3cccc4ccccc34)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is QITCVXCJNAQNPO-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-2-15-10-12-16(13-11-15)14-20-21(25)24-22(26-20)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,23,24,25)/b20-14-.
What are the key properties of (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 358.47 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135563218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).