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

C20H20N2OS — CID 135421075

IUPAC(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccccc3CC)NC2=O)cc1
InChIInChI=1S/C20H20N2OS/c1-3-14-9-11-15(12-10-14)13-18-19(23)22-20(24-18)21-17-8-6-5-7-16(17)4-2/h5-13H,3-4H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyPQDAAATUPVNVAG-AQTBWJFISA-N
MW336.46 g/mol
LogP4.70
Rot. Bonds4

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

(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135421075) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135421075
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccccc3CC)NC2=O)cc1
InChIInChI=1S/C20H20N2OS/c1-3-14-9-11-15(12-10-14)13-18-19(23)22-20(24-18)21-17-8-6-5-7-16(17)4-2/h5-13H,3-4H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyPQDAAATUPVNVAG-AQTBWJFISA-N
XLogP4.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.70
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'}

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Related Compounds

(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135563218
5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135486713
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135529216
2-[4-[(E)-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 135941442
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135482984
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563198
3-[[5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483260
(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135603029
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119
(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490206

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135421075) is (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is CCc1ccc(/C=C2\S/C(=N/c3ccccc3CC)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PQDAAATUPVNVAG-AQTBWJFISA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-14-9-11-15(12-10-14)13-18-19(23)22-20(24-18)21-17-8-6-5-7-16(17)4-2/h5-13H,3-4H2,1-2H3,(H,21,22,23)/b18-13-.
What are the key properties of (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).