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

C16H10Cl2N2OS — CID 137062975

IUPAC(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2OS/c17-11-6-4-10(5-7-11)8-14-15(21)20-16(22-14)19-13-3-1-2-12(18)9-13/h1-9H,(H,19,20,21)/b14-8+
InChIKeyIFYVWQLHJGPWCI-RIYZIHGNSA-N
MW349.24 g/mol
LogP4.89
Rot. Bonds2

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

(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137062975) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137062975
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2OS/c17-11-6-4-10(5-7-11)8-14-15(21)20-16(22-14)19-13-3-1-2-12(18)9-13/h1-9H,(H,19,20,21)/b14-8+
InChIKeyIFYVWQLHJGPWCI-RIYZIHGNSA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.89
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

(5E)-2-(3-chlorophenyl)imino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062898
(5Z)-2-(3-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137079997
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062838
(5E)-5-[(4-chlorophenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136782340
(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137085874
(5E)-2-(3-chlorophenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535295
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135957458
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155626
(5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136961673
(5Z)-2-(4-chlorophenyl)imino-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137043407
(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155679

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137062975) is (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is IFYVWQLHJGPWCI-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-11-6-4-10(5-7-11)8-14-15(21)20-16(22-14)19-13-3-1-2-12(18)9-13/h1-9H,(H,19,20,21)/b14-8+.
What are the key properties of (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 349.24 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137062975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).