N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C8H8F3N3OS — CID 18158504

IUPACN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCNC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3OS/c1-12-6(15)4-16-7-13-3-2-5(14-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyYKURNKDVCIZFLF-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158504) has the molecular formula C8H8F3N3OS and a molecular weight of 251.23 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158504
Molecular FormulaC8H8F3N3OS
Molecular Weight251.23 g/mol
Exact Mass251.03
IUPAC NameN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCNC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3OS/c1-12-6(15)4-16-7-13-3-2-5(14-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyYKURNKDVCIZFLF-UHFFFAOYSA-N
XLogP1.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158504) is N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CNC(=O)CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is YKURNKDVCIZFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3OS/c1-12-6(15)4-16-7-13-3-2-5(14-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15).
What are the key properties of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 251.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).