(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

C20H19FN2O4S — CID 2262989

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
InChIInChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9-
InChIKeyXOVSKZMGQOOLCH-NVMNQCDNSA-N
MW402.45 g/mol
LogP4.26
Rot. Bonds6

About (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2262989) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID2262989
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
InChIInChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9-
InChIKeyXOVSKZMGQOOLCH-NVMNQCDNSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylidene]-3-[(2,5-dimethylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 1498513
2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2894896
(5E)-3-[(3-chloroanilino)methyl]-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 45105339
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(hydroxymethyl)-1,3-thiazolidine-2,4-dione
CID 75538988
N-(2,4-difluorophenyl)-2-[(5Z)-5-[[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126281948
N-(4-fluorophenyl)-2-[(5Z)-5-[[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126168049
2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126378493
2-[(5Z)-5-[(3-methoxy-4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 158817313
(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[(2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 98207840
2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 2894109
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 99902037
3-[(2-chloroanilino)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4686929

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (CID 2262989) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is XOVSKZMGQOOLCH-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 402.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2262989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).