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

C18H15FN2O4S — CID 10571429

IUPACN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O
InChIInChI=1S/C18H15FN2O4S/c19-12-4-1-10(2-5-12)9-16(23)20-13-7-11(3-6-14(13)22)8-15-17(24)21-18(25)26-15/h1-7,15,22H,8-9H2,(H,20,23)(H,21,24,25)
InChIKeySRVXLSXOTBKGGG-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.61
Rot. Bonds5

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

N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 10571429) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
PubChem CID10571429
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC NameN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O
InChIInChI=1S/C18H15FN2O4S/c19-12-4-1-10(2-5-12)9-16(23)20-13-7-11(3-6-14(13)22)8-15-17(24)21-18(25)26-15/h1-7,15,22H,8-9H2,(H,20,23)(H,21,24,25)
InChIKeySRVXLSXOTBKGGG-UHFFFAOYSA-N
XLogP2.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 10550306
5-[(3,4-dihydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3061687
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
CID 20777438
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
CID 139774309
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 15871344
5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3061688
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
5-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 584644
2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 11992263
5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 11403417
[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl] 2-(2-fluorophenyl)acetate
CID 87328991

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide (CID 10571429) is N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O.
What is the InChIKey of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SRVXLSXOTBKGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-12-4-1-10(2-5-12)9-16(23)20-13-7-11(3-6-14(13)22)8-15-17(24)21-18(25)26-15/h1-7,15,22H,8-9H2,(H,20,23)(H,21,24,25).
What are the key properties of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide?
N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 10571429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).