2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide

C12H11F3N2O3S — CID 87994774

IUPAC2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)20-8-3-1-2-7(4-8)11-17(5-9(16)18)10(19)6-21-11/h1-4,11H,5-6H2,(H2,16,18)
InChIKeyAAOBODQKQUQJCU-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide

2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 87994774) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide
PubChem CID87994774
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)20-8-3-1-2-7(4-8)11-17(5-9(16)18)10(19)6-21-11/h1-4,11H,5-6H2,(H2,16,18)
InChIKeyAAOBODQKQUQJCU-UHFFFAOYSA-N
XLogP1.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3688527
benzyl 2-[[2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3835721
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516
3-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103369
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3860254
3-[2-(cyclohexen-1-yl)ethyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103355
benzyl 2-[[2-[2-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3850087
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide (CID 87994774) is 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide is NC(=O)CN1C(=O)CSC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is AAOBODQKQUQJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c13-12(14,15)20-8-3-1-2-7(4-8)11-17(5-9(16)18)10(19)6-21-11/h1-4,11H,5-6H2,(H2,16,18).
What are the key properties of 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide?
2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 320.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 87994774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).