N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C12H11F3N4O2S — CID 610015

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C12H11F3N4O2S/c1-6-3-8(12(13,14)15)17-11(16-6)22-5-10(20)18-9-4-7(2)21-19-9/h3-4H,5H2,1-2H3,(H,18,19,20)
InChIKeyMHJXWXVJOUVQLA-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.83
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 610015) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID610015
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C12H11F3N4O2S/c1-6-3-8(12(13,14)15)17-11(16-6)22-5-10(20)18-9-4-7(2)21-19-9/h3-4H,5H2,1-2H3,(H,18,19,20)
InChIKeyMHJXWXVJOUVQLA-UHFFFAOYSA-N
XLogP2.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 610015) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is MHJXWXVJOUVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-6-3-8(12(13,14)15)17-11(16-6)22-5-10(20)18-9-4-7(2)21-19-9/h3-4H,5H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 332.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 610015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).