(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one

C20H16ClNO2S — CID 8832477

IUPAC(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=c2\s/c(=C\C(=O)c3cccc(Cl)c3)[nH]c2=O)cc1
InChIInChI=1S/C20H16ClNO2S/c1-2-13-6-8-14(9-7-13)10-18-20(24)22-19(25-18)12-17(23)15-4-3-5-16(21)11-15/h3-12H,2H2,1H3,(H,22,24)/b18-10-,19-12-
InChIKeyXBFSYJFAUSRXEJ-NQWPFYGWSA-N
MW369.87 g/mol
LogP3.14
Rot. Bonds4

About (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8832477) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8832477
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=c2\s/c(=C\C(=O)c3cccc(Cl)c3)[nH]c2=O)cc1
InChIInChI=1S/C20H16ClNO2S/c1-2-13-6-8-14(9-7-13)10-18-20(24)22-19(25-18)12-17(23)15-4-3-5-16(21)11-15/h3-12H,2H2,1H3,(H,22,24)/b18-10-,19-12-
InChIKeyXBFSYJFAUSRXEJ-NQWPFYGWSA-N
XLogP3.14
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

methyl 4-[(Z)-[(2Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 8832483
(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 86775981
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 91659362
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4854641
4-[(Z)-[(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 167917751
5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
2-[4-[(E)-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9037138

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8832477) is (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is CCc1ccc(/C=c2\s/c(=C\C(=O)c3cccc(Cl)c3)[nH]c2=O)cc1.
What is the InChIKey of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XBFSYJFAUSRXEJ-NQWPFYGWSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c1-2-13-6-8-14(9-7-13)10-18-20(24)22-19(25-18)12-17(23)15-4-3-5-16(21)11-15/h3-12H,2H2,1H3,(H,22,24)/b18-10-,19-12-.
What are the key properties of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 369.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8832477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).