(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one

C22H14Cl2N2OS — CID 102079405

IUPAC(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2Cl)N1c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-10-4-6-12-18(16)25-22-26(19-13-7-5-11-17(19)24)21(27)20(28-22)14-15-8-2-1-3-9-15/h1-14H/b20-14-,25-22-
InChIKeyQHDHSMFMMZUMBS-UDGIJHFQSA-N
MW425.34 g/mol
LogP6.80
Rot. Bonds3

About (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 102079405) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID102079405
Molecular FormulaC22H14Cl2N2OS
Molecular Weight425.34 g/mol
Exact Mass424.02
IUPAC Name(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2Cl)N1c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-10-4-6-12-18(16)25-22-26(19-13-7-5-11-17(19)24)21(27)20(28-22)14-15-8-2-1-3-9-15/h1-14H/b20-14-,25-22-
InChIKeyQHDHSMFMMZUMBS-UDGIJHFQSA-N
XLogP6.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 56.80
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-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4067069
5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 5073911
(5E)-2-(2-chlorophenyl)imino-3-methyl-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556230
(5Z)-3-(2-chlorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6532108
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843990
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-chlorophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486367
(5E)-2-(2-chlorophenyl)imino-3-ethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556302
(5Z)-3-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844059
2-[3-[(E)-[2-(2-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 9486202
(5E)-2-(2-chlorophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 8556317

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 102079405) is (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2Cl)N1c1ccccc1Cl.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is QHDHSMFMMZUMBS-UDGIJHFQSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-16-10-4-6-12-18(16)25-22-26(19-13-7-5-11-17(19)24)21(27)20(28-22)14-15-8-2-1-3-9-15/h1-14H/b20-14-,25-22-.
What are the key properties of (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 425.34 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 102079405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).