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

C13H12Cl2N2O2S — CID 5290412

IUPAC(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cc(Cl)cc(Cl)c2OC)C(=O)N1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-16-13-17(2)12(18)10(20-13)5-7-4-8(14)6-9(15)11(7)19-3/h4-6H,1-3H3/b10-5-,16-13+
InChIKeyYDUSZWJBDLGIRD-CFKZRKEXSA-N
MW331.22 g/mol
LogP3.53
Rot. Bonds2

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

(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 5290412) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID5290412
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cc(Cl)cc(Cl)c2OC)C(=O)N1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-16-13-17(2)12(18)10(20-13)5-7-4-8(14)6-9(15)11(7)19-3/h4-6H,1-3H3/b10-5-,16-13+
InChIKeyYDUSZWJBDLGIRD-CFKZRKEXSA-N
XLogP3.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-butyl-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2928739
(5E)-3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126084674
(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126056364
(5E)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1326126
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 124532234
(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126046145
5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 884257
5-[[3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 3386006
5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1229412
5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3810365
5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1278994
(5E)-5-[[3,5-dichloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2195791

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 5290412) is (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2cc(Cl)cc(Cl)c2OC)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is YDUSZWJBDLGIRD-CFKZRKEXSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-16-13-17(2)12(18)10(20-13)5-7-4-8(14)6-9(15)11(7)19-3/h4-6H,1-3H3/b10-5-,16-13+.
What are the key properties of (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 331.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5290412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).