2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C12H9F3N4OS — CID 87047947

IUPAC2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(CSc1ncccn1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9F3N4OS/c13-12(14,15)8-2-3-9(18-6-8)19-10(20)7-21-11-16-4-1-5-17-11/h1-6H,7H2,(H,18,19,20)
InChIKeyLCXZLUUJJMXYBJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.62
Rot. Bonds4

About 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 87047947) has the molecular formula C12H9F3N4OS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID87047947
Molecular FormulaC12H9F3N4OS
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(CSc1ncccn1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9F3N4OS/c13-12(14,15)8-2-3-9(18-6-8)19-10(20)7-21-11-16-4-1-5-17-11/h1-6H,7H2,(H,18,19,20)
InChIKeyLCXZLUUJJMXYBJ-UHFFFAOYSA-N
XLogP2.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 87047947) is 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(CSc1ncccn1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is LCXZLUUJJMXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4OS/c13-12(14,15)8-2-3-9(18-6-8)19-10(20)7-21-11-16-4-1-5-17-11/h1-6H,7H2,(H,18,19,20).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 314.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 87047947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).