(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C17H13NO5S — CID 8830799

IUPAC(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1O
InChIInChI=1S/C17H13NO5S/c1-22-14-7-10(4-5-11(14)19)8-15-17(21)18-16(24-15)9-12(20)13-3-2-6-23-13/h2-9,19H,1H3,(H,18,21)/b15-8-,16-9-
InChIKeyTWQWDGWKDMNNDP-SRKDFGFSSA-N
MW343.36 g/mol
LogP1.24
Rot. Bonds4

About (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8830799) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8830799
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1O
InChIInChI=1S/C17H13NO5S/c1-22-14-7-10(4-5-11(14)19)8-15-17(21)18-16(24-15)9-12(20)13-3-2-6-23-13/h2-9,19H,1H3,(H,18,21)/b15-8-,16-9-
InChIKeyTWQWDGWKDMNNDP-SRKDFGFSSA-N
XLogP1.24
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
CID 37172603
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830911
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,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-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 4854450
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)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8831834
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
CID 167945632
(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

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8830799) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1O.
What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is TWQWDGWKDMNNDP-SRKDFGFSSA-N. The full InChI is InChI=1S/C17H13NO5S/c1-22-14-7-10(4-5-11(14)19)8-15-17(21)18-16(24-15)9-12(20)13-3-2-6-23-13/h2-9,19H,1H3,(H,18,21)/b15-8-,16-9-.
What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8830799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).