(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one

C22H16ClN3OS — CID 135403139

IUPAC(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClN3OS/c23-19-13-11-16(12-14-19)15-24-26-21-25-20(27)22(28-21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,25,26,27)/b24-15+
InChIKeyURTZYEXMEOYVHW-BUVRLJJBSA-N
MW405.91 g/mol
LogP4.84
Rot. Bonds4

About (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 135403139) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID135403139
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClN3OS/c23-19-13-11-16(12-14-19)15-24-26-21-25-20(27)22(28-21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,25,26,27)/b24-15+
InChIKeyURTZYEXMEOYVHW-BUVRLJJBSA-N
XLogP4.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (CID 135403139) is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is URTZYEXMEOYVHW-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-19-13-11-16(12-14-19)15-24-26-21-25-20(27)22(28-21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,25,26,27)/b24-15+.
What are the key properties of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 405.91 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135403139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).