2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C8H7F3N2OS — CID 2727805

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)5-1-2-7(13-3-5)15-4-6(12)14/h1-3H,4H2,(H2,12,14)
InChIKeyHJKVQHZKQXISQW-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.68
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 2727805) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID2727805
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)5-1-2-7(13-3-5)15-4-6(12)14/h1-3H,4H2,(H2,12,14)
InChIKeyHJKVQHZKQXISQW-UHFFFAOYSA-N
XLogP1.68
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 2727805) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is NC(=O)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is HJKVQHZKQXISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)5-1-2-7(13-3-5)15-4-6(12)14/h1-3H,4H2,(H2,12,14).
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 236.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 2727805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).