5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one

C14H16N2O3S2 — CID 4105515

IUPAC5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
SMILESC=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3S2/c1-4-9-15-14-16(13(17)11(3)20-14)21(18,19)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3/b15-14-
InChIKeyIVENNWFAMWJAKK-PFONDFGASA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds4

About 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one

5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one (PubChem CID 4105515) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
PubChem CID4105515
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
SMILESC=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3S2/c1-4-9-15-14-16(13(17)11(3)20-14)21(18,19)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3/b15-14-
InChIKeyIVENNWFAMWJAKK-PFONDFGASA-N
XLogP2.19
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-Allylimino]-3-(toluene-4-sulfonyl)-thiazolidin-4-one
CID 655314
2-(1-Azabut-3-enylidene)-5-methyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-one
CID 2998776
2-(1-Azabut-3-enylidene)-5-ethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 4159425
4-[2-[(4-Oxo-1,3-thiazolidin-2-ylidene)amino]ethyl]benzenesulfonamide
CID 137644307
(2Z)-2-(allylimino)-5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 1581676
(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 1784127
2-[(Z)-Allylimino]-3-benzenesulfonyl-thiazolidin-4-one
CID 653159
N-[(2E,5E)-5-[(dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzene-1-sulfonamide
CID 6507305
4-methyl-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 135422665
N-[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 135966000
(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 6507304
4-methyl-N-(4-oxo-1,3-thiazol-2-yl)benzenesulfonamide
CID 135463725

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one (CID 4105515) is 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one is C=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The InChIKey is IVENNWFAMWJAKK-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-4-9-15-14-16(13(17)11(3)20-14)21(18,19)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3/b15-14-.
What are the key properties of 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one has a molecular weight of 324.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4105515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).