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

C17H14FN3O3S — CID 135478175

IUPACN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c18-10-1-3-11(4-2-10)19-15(23)9-14-16(24)21-17(25-14)20-12-5-7-13(22)8-6-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24)
InChIKeyMVFFJWUCWBOFLL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.78
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135478175) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135478175
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c18-10-1-3-11(4-2-10)19-15(23)9-14-16(24)21-17(25-14)20-12-5-7-13(22)8-6-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24)
InChIKeyMVFFJWUCWBOFLL-UHFFFAOYSA-N
XLogP2.78
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
N-(4-bromophenyl)-2-{2-[(3-hydroxyphenyl)azamethylene]-4-oxo(1,3-thiazolidin-5-yl)}acetamide
CID 135468917
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-methylcarbamimidothioate
CID 3126858
(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-(4-Hydroxy-phenylimino)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 135412572
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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135478175) is N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MVFFJWUCWBOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-10-1-3-11(4-2-10)19-15(23)9-14-16(24)21-17(25-14)20-12-5-7-13(22)8-6-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24).
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 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-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135478175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).