N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C19H15FN2O5S — CID 1343676

IUPACN-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1O
InChIInChI=1S/C19H15FN2O5S/c1-27-15-7-2-11(8-14(15)23)9-16-18(25)22(19(26)28-16)10-17(24)21-13-5-3-12(20)4-6-13/h2-9,23H,10H2,1H3,(H,21,24)/b16-9-
InChIKeyUTMVPAAANVJKCZ-SXGWCWSVSA-N
MW402.40 g/mol
LogP3.21
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 1343676) has the molecular formula C19H15FN2O5S and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID1343676
Molecular FormulaC19H15FN2O5S
Molecular Weight402.40 g/mol
Exact Mass402.07
IUPAC NameN-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1O
InChIInChI=1S/C19H15FN2O5S/c1-27-15-7-2-11(8-14(15)23)9-16-18(25)22(19(26)28-16)10-17(24)21-13-5-3-12(20)4-6-13/h2-9,23H,10H2,1H3,(H,21,24)/b16-9-
InChIKeyUTMVPAAANVJKCZ-SXGWCWSVSA-N
XLogP3.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
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

Bi-ligand, 3
CID 52940028
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
CID 1561908
(Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(4-ethoxyphenyl)thiazolidine-2,4-dione
CID 2004955
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
2-[5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 1322017
methyl {4-[(Z)-(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
CID 1330721
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
CID 1230203
5-(3-Ethoxy-4-hydroxybenzylidene)-3-(2-fluorobenzyl)-2,4-imidazolidinedione
CID 1210425
3-(4-Fluorophenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1360981
3-[5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1365629
3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1554464
(5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1745927

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 1343676) is N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1O.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is UTMVPAAANVJKCZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H15FN2O5S/c1-27-15-7-2-11(8-14(15)23)9-16-18(25)22(19(26)28-16)10-17(24)21-13-5-3-12(20)4-6-13/h2-9,23H,10H2,1H3,(H,21,24)/b16-9-.
What are the key properties of N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 1343676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).