(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C12H10Cl2N2OS — CID 6505787

IUPAC(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C
InChIInChI=1S/C12H10Cl2N2OS/c1-15-12-16(2)11(17)10(18-12)5-7-3-4-8(13)6-9(7)14/h3-6H,1-2H3/b10-5-,15-12+
InChIKeyYAIORHFQNPMEIY-PWIFPZSZSA-N
MW301.20 g/mol
LogP3.53
Rot. Bonds1

About (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 6505787) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID6505787
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C
InChIInChI=1S/C12H10Cl2N2OS/c1-15-12-16(2)11(17)10(18-12)5-7-3-4-8(13)6-9(7)14/h3-6H,1-2H3/b10-5-,15-12+
InChIKeyYAIORHFQNPMEIY-PWIFPZSZSA-N
XLogP3.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.53
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)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 1933974
(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 2410243
Disubstituted aryl-Me ATX inhibitor 4
CID 72836856
5-(2,6-dichlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851058
2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486640
(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 6289697
5-(2,3-Dichlorobenzylidene)-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
CID 1780111
3-Allyl-2-[(Z)-allylimino]-5-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-thiazolidin-4-one
CID 1880481
5-(4-Chloro-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 676190
Disubstituted aryl-Me ATX inhibitor 2
CID 2261002
Disubstituted aryl-Me ATX inhibitor 5
CID 1971684
(2Z)-2-[(2-chlorophenyl)methylene]-5,6-dihydroimidazo[2,1-b]thiazol-3-one
CID 6476999

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 6505787) is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is YAIORHFQNPMEIY-PWIFPZSZSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-15-12-16(2)11(17)10(18-12)5-7-3-4-8(13)6-9(7)14/h3-6H,1-2H3/b10-5-,15-12+.
What are the key properties of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 301.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).