(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C18H15NO3S2 — CID 8016933

IUPAC(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(C)s3)s2)cc1
InChIInChI=1S/C18H15NO3S2/c1-11-3-8-14(23-11)9-16-18(21)19-17(24-16)10-15(20)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+
InChIKeyVQHRLVMENUPMAA-CZCYGEDCSA-N
MW357.46 g/mol
LogP2.31
Rot. Bonds4

About (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8016933) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8016933
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(C)s3)s2)cc1
InChIInChI=1S/C18H15NO3S2/c1-11-3-8-14(23-11)9-16-18(21)19-17(24-16)10-15(20)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+
InChIKeyVQHRLVMENUPMAA-CZCYGEDCSA-N
XLogP2.31
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 16554362
(2Z,5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(3,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6213444
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
2-[3-[(E)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 154860635
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 3633056

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 8016933) is (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(C)s3)s2)cc1.
What is the InChIKey of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VQHRLVMENUPMAA-CZCYGEDCSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-11-3-8-14(23-11)9-16-18(21)19-17(24-16)10-15(20)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+.
What are the key properties of (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 357.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8016933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).