(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one

C23H17NO3S — CID 8829864

IUPAC(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C23H17NO3S/c1-27-19-10-8-17(9-11-19)20(25)14-22-24-23(26)21(28-22)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-14H,1H3,(H,24,26)/b21-13+,22-14+
InChIKeyLZXLLLFMLZAFCX-JFMUQQRKSA-N
MW387.46 g/mol
LogP3.09
Rot. Bonds4

About (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 8829864) has the molecular formula C23H17NO3S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID8829864
Molecular FormulaC23H17NO3S
Molecular Weight387.46 g/mol
Exact Mass387.09
IUPAC Name(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C23H17NO3S/c1-27-19-10-8-17(9-11-19)20(25)14-22-24-23(26)21(28-22)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-14H,1H3,(H,24,26)/b21-13+,22-14+
InChIKeyLZXLLLFMLZAFCX-JFMUQQRKSA-N
XLogP3.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
2-[3-[(E)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 154860635
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365
(2Z,5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(3,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6213444
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 8016933
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2Z,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
CID 37172603

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 8829864) is (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc4ccccc4c3)s2)cc1.
What is the InChIKey of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LZXLLLFMLZAFCX-JFMUQQRKSA-N. The full InChI is InChI=1S/C23H17NO3S/c1-27-19-10-8-17(9-11-19)20(25)14-22-24-23(26)21(28-22)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-14H,1H3,(H,24,26)/b21-13+,22-14+.
What are the key properties of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 387.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 8829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).