(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one

C17H13ClN2OS — CID 135449851

IUPAC(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-15-16(21)20-17(22-15)19-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,21)/b15-10-
InChIKeyCLAFIVNSSVOTSP-GDNBJRDFSA-N
MW328.82 g/mol
LogP4.10
Rot. Bonds3

About (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135449851) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135449851
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-15-16(21)20-17(22-15)19-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,21)/b15-10-
InChIKeyCLAFIVNSSVOTSP-GDNBJRDFSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
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

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 2410243
2-[(4-chlorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135450344
(5Z)-2-(benzylamino)-5-benzylidene-1,3-thiazol-4-one
CID 135486335
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
(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 960165
2-(3-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135665679
2-(2-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135700427
(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135417092
(5E)-2-(2-chloroanilino)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 135514366
(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 135417131

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135449851) is (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CLAFIVNSSVOTSP-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-15-16(21)20-17(22-15)19-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,21)/b15-10-.
What are the key properties of (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 328.82 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135449851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).