N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

C19H14F6N2O2S — CID 11328348

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O2S/c20-18(21,22)12-6-13(19(23,24)25)8-14(7-12)26-15(28)9-27-16(29)10-30-17(27)11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,26,28)
InChIKeyVTOLCEYADAQBLM-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.94
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (PubChem CID 11328348) has the molecular formula C19H14F6N2O2S and a molecular weight of 448.39 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
PubChem CID11328348
Molecular FormulaC19H14F6N2O2S
Molecular Weight448.39 g/mol
Exact Mass448.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O2S/c20-18(21,22)12-6-13(19(23,24)25)8-14(7-12)26-15(28)9-27-16(29)10-30-17(27)11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,26,28)
InChIKeyVTOLCEYADAQBLM-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10715251
(4R)-2-(3-acetamidophenyl)-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 23656383
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
N1-[3,5-di(trifluoromethyl)phenyl]-2-tetrahydro-1H-pyrrol-1-ylacetamide
CID 2725742
N-(2,4-Dioxo-3-phenyl-thiazolidin-5-yl)-N-m-tolyl-acetamide
CID 649976
2-[(3-Benzyl-2,4-dioxo-thiazolidin-5-yl)-phenyl-amino]-acetamide
CID 653164
5-(Methyl-phenyl-amino)-3-m-tolyl-thiazolidine-2,4-dione
CID 654763

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (CID 11328348) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)CSC1c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VTOLCEYADAQBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2S/c20-18(21,22)12-6-13(19(23,24)25)8-14(7-12)26-15(28)9-27-16(29)10-30-17(27)11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 448.39 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 11328348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).