(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one

C15H18N2OS — CID 18838722

IUPAC(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccccc2C)C(=O)N1CC
InChIInChI=1S/C15H18N2OS/c1-4-16-15-17(5-2)14(18)13(19-15)10-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3/b13-10-,16-15+
InChIKeyPLTJIVZLNHTLSP-IKKSVTPCSA-N
MW274.39 g/mol
LogP3.31
Rot. Bonds3

About (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18838722) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID18838722
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccccc2C)C(=O)N1CC
InChIInChI=1S/C15H18N2OS/c1-4-16-15-17(5-2)14(18)13(19-15)10-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3/b13-10-,16-15+
InChIKeyPLTJIVZLNHTLSP-IKKSVTPCSA-N
XLogP3.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
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)-3-ethyl-2-ethylimino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18838724
(5E)-3-ethyl-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252231
(2E,5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845814
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843775
(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486909
5-[(5-bromothiophen-2-yl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 3513550
(5E)-3-ethyl-2-ethylimino-5-[(1-methylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 50853514
(5E)-3-ethyl-2-ethylimino-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 6274134
(5E)-5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 5455888
3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1208545
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 6137186
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18838722) is (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccccc2C)C(=O)N1CC.
What is the InChIKey of (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PLTJIVZLNHTLSP-IKKSVTPCSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-16-15-17(5-2)14(18)13(19-15)10-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3/b13-10-,16-15+.
What are the key properties of (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18838722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).