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

C12H11F3N4O2S2 — CID 2976289

IUPACN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21)
InChIKeyWRNLRNLGBOGFJK-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.03
Rot. Bonds3

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

N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2976289) has the molecular formula C12H11F3N4O2S2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2976289
Molecular FormulaC12H11F3N4O2S2
Molecular Weight364.37 g/mol
Exact Mass364.03
IUPAC NameN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21)
InChIKeyWRNLRNLGBOGFJK-UHFFFAOYSA-N
XLogP2.03
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 2976289) is N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1.
What is the InChIKey of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WRNLRNLGBOGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 364.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2976289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).