(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H12Cl2N4OS — CID 98107581

IUPAC(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccc(Cl)cc2)N1/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N4OS/c18-14-5-1-12(2-6-14)9-20-22-17-23(16(24)11-25-17)21-10-13-3-7-15(19)8-4-13/h1-10H,11H2/b20-9-,21-10-,22-17+
InChIKeyHHJBBZVEZUPRHM-JJOAUGBWSA-N
MW391.28 g/mol
LogP4.29
Rot. Bonds4

About (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 98107581) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID98107581
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC Name(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccc(Cl)cc2)N1/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N4OS/c18-14-5-1-12(2-6-14)9-20-22-17-23(16(24)11-25-17)21-10-13-3-7-15(19)8-4-13/h1-10H,11H2/b20-9-,21-10-,22-17+
InChIKeyHHJBBZVEZUPRHM-JJOAUGBWSA-N
XLogP4.29
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6887669
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 2341101
3-tert-butyl-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 4176872
3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 5498782
3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352277
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5341305
(1S,2R,6S,7S)-4-[(Z)-(4-chlorophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100814775
4-[(4-chlorophenyl)methylideneamino]-1,2,4-triazolidine-3,5-dione
CID 6612503
(1R,2S,6S,7R,8S,10S)-4-[(E)-(4-chlorophenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072319
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663

Frequently Asked Questions

What is the IUPAC name of (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 98107581) is (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\c2ccc(Cl)cc2)N1/N=C\c1ccc(Cl)cc1.
What is the InChIKey of (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HHJBBZVEZUPRHM-JJOAUGBWSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c18-14-5-1-12(2-6-14)9-20-22-17-23(16(24)11-25-17)21-10-13-3-7-15(19)8-4-13/h1-10H,11H2/b20-9-,21-10-,22-17+.
What are the key properties of (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 391.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 98107581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).