(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one

C29H21NOS — CID 102482884

IUPAC(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one
SMILESO=c1/c(=C/c2ccccc2)sc(=C(c2ccccc2)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H21NOS/c31-28-26(21-22-13-5-1-6-14-22)32-29(30(28)25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-21H/b26-21-
InChIKeyUCUDBYKCHZUDQZ-QLYXXIJNSA-N
MW431.56 g/mol
LogP4.98
Rot. Bonds4

About (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one

(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 102482884) has the molecular formula C29H21NOS and a molecular weight of 431.56 g/mol. Its IUPAC name is (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one
PubChem CID102482884
Molecular FormulaC29H21NOS
Molecular Weight431.56 g/mol
Exact Mass431.13
IUPAC Name(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one
SMILESO=c1/c(=C/c2ccccc2)sc(=C(c2ccccc2)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H21NOS/c31-28-26(21-22-13-5-1-6-14-22)32-29(30(28)25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-21H/b26-21-
InChIKeyUCUDBYKCHZUDQZ-QLYXXIJNSA-N
XLogP4.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652961
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2021104
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
CID 56969930
2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652974
methyl 4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 2372099
4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 8653023
methyl 4-[[2-(1-cyano-2-oxo-2-phenylethylidene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 5107677
2-[(5E)-5-benzylidene-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 18074846
2-(5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-ethoxyphenyl)acetamide
CID 3816595
(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 2028555
(2Z)-2-[(5E)-5-benzylidene-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 18209549
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 3542035

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one (CID 102482884) is (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one is O=c1/c(=C/c2ccccc2)sc(=C(c2ccccc2)c2ccccc2)n1-c1ccccc1.
What is the InChIKey of (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is UCUDBYKCHZUDQZ-QLYXXIJNSA-N. The full InChI is InChI=1S/C29H21NOS/c31-28-26(21-22-13-5-1-6-14-22)32-29(30(28)25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-21H/b26-21-.
What are the key properties of (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 431.56 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 102482884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).