(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C20H14N2O4S2 — CID 46534677

IUPAC(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1\[nH]c(=O)/c(=C\c2ccc(OCc3cscn3)cc2)s1)c1ccco1
InChIInChI=1S/C20H14N2O4S2/c23-16(17-2-1-7-25-17)9-19-22-20(24)18(28-19)8-13-3-5-15(6-4-13)26-10-14-11-27-12-21-14/h1-9,11-12H,10H2,(H,22,24)/b18-8+,19-9+
InChIKeySWDYGVORVYHJSJ-GCBPPVMSSA-N
MW410.48 g/mol
LogP2.56
Rot. Bonds6

About (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 46534677) has the molecular formula C20H14N2O4S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID46534677
Molecular FormulaC20H14N2O4S2
Molecular Weight410.48 g/mol
Exact Mass410.04
IUPAC Name(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1\[nH]c(=O)/c(=C\c2ccc(OCc3cscn3)cc2)s1)c1ccco1
InChIInChI=1S/C20H14N2O4S2/c23-16(17-2-1-7-25-17)9-19-22-20(24)18(28-19)8-13-3-5-15(6-4-13)26-10-14-11-27-12-21-14/h1-9,11-12H,10H2,(H,22,24)/b18-8+,19-9+
InChIKeySWDYGVORVYHJSJ-GCBPPVMSSA-N
XLogP2.56
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4827606
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 167769929
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830799
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830911
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
CID 167945632
2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 4854450
ethyl 5-[(E)-[(2Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1H-pyrazole-3-carboxylate
CID 166359546
(2Z,5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8830914
(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 98392873
2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 91942260
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6215409

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 46534677) is (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C(/C=c1\[nH]c(=O)/c(=C\c2ccc(OCc3cscn3)cc2)s1)c1ccco1.
What is the InChIKey of (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is SWDYGVORVYHJSJ-GCBPPVMSSA-N. The full InChI is InChI=1S/C20H14N2O4S2/c23-16(17-2-1-7-25-17)9-19-22-20(24)18(28-19)8-13-3-5-15(6-4-13)26-10-14-11-27-12-21-14/h1-9,11-12H,10H2,(H,22,24)/b18-8+,19-9+.
What are the key properties of (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 410.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 46534677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).