2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C7H7F3N2O3S2 — CID 47418007

IUPAC2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS(=O)(=O)c1nccs1)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3S2/c8-7(9,10)4-12-5(13)3-17(14,15)6-11-1-2-16-6/h1-2H,3-4H2,(H,12,13)
InChIKeyGQJLUJSTPVOCBH-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.60
Rot. Bonds4

About 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47418007) has the molecular formula C7H7F3N2O3S2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47418007
Molecular FormulaC7H7F3N2O3S2
Molecular Weight288.27 g/mol
Exact Mass287.99
IUPAC Name2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS(=O)(=O)c1nccs1)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3S2/c8-7(9,10)4-12-5(13)3-17(14,15)6-11-1-2-16-6/h1-2H,3-4H2,(H,12,13)
InChIKeyGQJLUJSTPVOCBH-UHFFFAOYSA-N
XLogP0.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 47418007) is 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CS(=O)(=O)c1nccs1)NCC(F)(F)F.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GQJLUJSTPVOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S2/c8-7(9,10)4-12-5(13)3-17(14,15)6-11-1-2-16-6/h1-2H,3-4H2,(H,12,13).
What are the key properties of 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47418007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).