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

C9H10F3N3OS — CID 46518628

IUPACN,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3OS/c1-15(2)7(16)5-17-8-13-4-3-6(14-8)9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyZKKQPGLGUJUWTK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.68
Rot. Bonds3

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

N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 46518628) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID46518628
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC NameN,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3OS/c1-15(2)7(16)5-17-8-13-4-3-6(14-8)9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyZKKQPGLGUJUWTK-UHFFFAOYSA-N
XLogP1.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 46518628) is N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CN(C)C(=O)CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is ZKKQPGLGUJUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-15(2)7(16)5-17-8-13-4-3-6(14-8)9(10,11)12/h3-4H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 265.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46518628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).