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

C7H6F3N3OS — CID 18158479

IUPAC2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3OS/c8-7(9,10)4-1-2-12-6(13-4)15-3-5(11)14/h1-2H,3H2,(H2,11,14)
InChIKeyDPIGWDPPHIZWGY-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.07
Rot. Bonds3

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

2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158479) has the molecular formula C7H6F3N3OS and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158479
Molecular FormulaC7H6F3N3OS
Molecular Weight237.21 g/mol
Exact Mass237.02
IUPAC Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3OS/c8-7(9,10)4-1-2-12-6(13-4)15-3-5(11)14/h1-2H,3H2,(H2,11,14)
InChIKeyDPIGWDPPHIZWGY-UHFFFAOYSA-N
XLogP1.07
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158479) is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is NC(=O)CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is DPIGWDPPHIZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3OS/c8-7(9,10)4-1-2-12-6(13-4)15-3-5(11)14/h1-2H,3H2,(H2,11,14).
What are the key properties of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 237.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).