(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C17H11Cl3N2OS — CID 9486440

IUPAC(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C17H11Cl3N2OS/c1-22-16(23)14(8-10-4-2-7-13(19)15(10)20)24-17(22)21-12-6-3-5-11(18)9-12/h2-9H,1H3/b14-8+,21-17-
InChIKeySLSBPKHRAHVRMU-NRANHUDFSA-N
MW397.71 g/mol
LogP5.88
Rot. Bonds2

About (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486440) has the molecular formula C17H11Cl3N2OS and a molecular weight of 397.71 g/mol. Its IUPAC name is (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID9486440
Molecular FormulaC17H11Cl3N2OS
Molecular Weight397.71 g/mol
Exact Mass395.97
IUPAC Name(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C17H11Cl3N2OS/c1-22-16(23)14(8-10-4-2-7-13(19)15(10)20)24-17(22)21-12-6-3-5-11(18)9-12/h2-9H,1H3/b14-8+,21-17-
InChIKeySLSBPKHRAHVRMU-NRANHUDFSA-N
XLogP5.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 55.88
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

3-[[(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126057575
(5E)-2-(3-chlorophenyl)imino-3-methyl-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486452
(5Z)-2-(3-chlorophenyl)imino-3-methyl-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556331
(5E)-2-(3-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486384
5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 5057266
3-[[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7323588
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126113030
2-[(Z)-[2-(3-carboxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenolate
CID 54682490
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27409050
3-[[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6207899
methyl 3-[[5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3353155
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841775

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 9486440) is (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc(Cl)c1.
What is the InChIKey of (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is SLSBPKHRAHVRMU-NRANHUDFSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS/c1-22-16(23)14(8-10-4-2-7-13(19)15(10)20)24-17(22)21-12-6-3-5-11(18)9-12/h2-9H,1H3/b14-8+,21-17-.
What are the key properties of (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 397.71 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).