1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide

C5H2F6N2O4S3 — CID 87850754

IUPAC1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(c1nccs1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6N2O4S3/c6-4(7,8)19(14,15)13(3-12-1-2-18-3)20(16,17)5(9,10)11/h1-2H
InChIKeyLKYAOZOCWUVGCZ-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.65
Rot. Bonds3

About 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide

1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 87850754) has the molecular formula C5H2F6N2O4S3 and a molecular weight of 364.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID87850754
Molecular FormulaC5H2F6N2O4S3
Molecular Weight364.27 g/mol
Exact Mass363.91
IUPAC Name1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(c1nccs1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6N2O4S3/c6-4(7,8)19(14,15)13(3-12-1-2-18-3)20(16,17)5(9,10)11/h1-2H
InChIKeyLKYAOZOCWUVGCZ-UHFFFAOYSA-N
XLogP1.65
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

n-butyl-N-2-thiazolylsulfonamide
CID 9117500
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
1-(Difluoromethyl)-2-(1,3-thiazol-2-yl)-1lambda4-thia-2,4-diazacyclopenta-3,5-diene
CID 88615514
Bis(trifluoromethylsulfonyl)azanide;3-ethynyl-1,3-thiazol-3-ium
CID 140134353
Bis(trifluoromethylsulfonyl)azanide;3-methyl-1,3-thiazol-3-ium
CID 140134371
Bis(trifluoromethylsulfonyl)azanide;3-ethenyl-1,3-thiazol-3-ium
CID 140134388
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 154088017
Bis(trifluoromethylsulfonyl)azanide;3-(2,2,2-trifluoroethyl)-1,3-thiazol-3-ium
CID 157295216
2-Thiazolediazonium hydrogensulfate
CID 13665897
1,1,1-trifluoro-N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21852992
N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21852998

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 87850754) is 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide is O=S(=O)(N(c1nccs1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is LKYAOZOCWUVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2O4S3/c6-4(7,8)19(14,15)13(3-12-1-2-18-3)20(16,17)5(9,10)11/h1-2H.
What are the key properties of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 364.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 87850754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).