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

C18H15NO2S2 — CID 17407473

IUPAC(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccs3)s2)c1
InChIInChI=1S/C18H15NO2S2/c1-11-6-12(2)8-13(7-11)15(20)10-17-19-18(21)16(23-17)9-14-4-3-5-22-14/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+
InChIKeyBRDDXLCFGRKMGO-CZCYGEDCSA-N
MW341.46 g/mol
LogP2.61
Rot. Bonds3

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

(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 17407473) has the molecular formula C18H15NO2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID17407473
Molecular FormulaC18H15NO2S2
Molecular Weight341.46 g/mol
Exact Mass341.05
IUPAC Name(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccs3)s2)c1
InChIInChI=1S/C18H15NO2S2/c1-11-6-12(2)8-13(7-11)15(20)10-17-19-18(21)16(23-17)9-14-4-3-5-22-14/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+
InChIKeyBRDDXLCFGRKMGO-CZCYGEDCSA-N
XLogP2.61
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 17407473) is (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is Cc1cc(C)cc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccs3)s2)c1.
What is the InChIKey of (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is BRDDXLCFGRKMGO-CZCYGEDCSA-N. The full InChI is InChI=1S/C18H15NO2S2/c1-11-6-12(2)8-13(7-11)15(20)10-17-19-18(21)16(23-17)9-14-4-3-5-22-14/h3-10H,1-2H3,(H,19,21)/b16-9+,17-10+.
What are the key properties of (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 341.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 17407473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).