2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

C6H5F3N2O2S — CID 103862883

IUPAC2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(NCc1csc(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)4(12)10-1-3-2-14-5(13)11-3/h2H,1H2,(H,10,12)(H,11,13)
InChIKeyNPXNPXVIISWTRS-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.61
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 103862883) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID103862883
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(NCc1csc(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)4(12)10-1-3-2-14-5(13)11-3/h2H,1H2,(H,10,12)(H,11,13)
InChIKeyNPXNPXVIISWTRS-UHFFFAOYSA-N
XLogP0.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
3-(2-Aminoethyl)-4-(trifluoromethyl)-1,3-thiazol-2-one
CID 82508421
4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106380838
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381137

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (CID 103862883) is 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is O=C(NCc1csc(=O)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is NPXNPXVIISWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-6(8,9)4(12)10-1-3-2-14-5(13)11-3/h2H,1H2,(H,10,12)(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 226.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 103862883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).