N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

C20H18FN3O3S — CID 2937326

IUPACN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C20H18FN3O3S/c1-2-11-24-19(27)17(12-18(26)22-14-5-3-13(21)4-6-14)28-20(24)23-15-7-9-16(25)10-8-15/h2-10,17,25H,1,11-12H2,(H,22,26)/b23-20-
InChIKeyCOUZFTSZNBQEGY-ATJXCDBQSA-N
MW399.45 g/mol
LogP3.68
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 2937326) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID2937326
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C20H18FN3O3S/c1-2-11-24-19(27)17(12-18(26)22-14-5-3-13(21)4-6-14)28-20(24)23-15-7-9-16(25)10-8-15/h2-10,17,25H,1,11-12H2,(H,22,26)/b23-20-
InChIKeyCOUZFTSZNBQEGY-ATJXCDBQSA-N
XLogP3.68
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide
CID 135520999
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-methylcarbamimidothioate
CID 3126858
(2Z)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139951
(E)-N-Ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-YL]sulfanyl}methanimidamide
CID 3239631
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(2-methylphenyl)acetamide
CID 135486272
1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N'-(3-fluorophenyl)-N-methylimidothiocarbamate
CID 2869103
2-[1-(4-Ethoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-(4-fluoro-phenyl)-3-methyl-isothiourea
CID 2869101
4-Thiazolidinone, 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)imino]-
CID 657890
3-Allyl-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1230260
N-(4-bromophenyl)-2-{2-[(4-hydroxyphenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 2941543
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N'-ethyl-N-(3-fluorophenyl)carbamimidothioate
CID 3588811

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 2937326) is N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(O)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is COUZFTSZNBQEGY-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-2-11-24-19(27)17(12-18(26)22-14-5-3-13(21)4-6-14)28-20(24)23-15-7-9-16(25)10-8-15/h2-10,17,25H,1,11-12H2,(H,22,26)/b23-20-.
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 2937326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).