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

C15H11F3N4O2S2 — CID 53364583

IUPACN-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1conc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H11F3N4O2S2/c1-8-6-24-22-13(8)21-12(23)7-26-14-19-9(10-3-2-4-25-10)5-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyDWGCNMMKJUDUMB-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.25
Rot. Bonds5

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

N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 53364583) has the molecular formula C15H11F3N4O2S2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID53364583
Molecular FormulaC15H11F3N4O2S2
Molecular Weight400.41 g/mol
Exact Mass400.03
IUPAC NameN-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1conc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H11F3N4O2S2/c1-8-6-24-22-13(8)21-12(23)7-26-14-19-9(10-3-2-4-25-10)5-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyDWGCNMMKJUDUMB-UHFFFAOYSA-N
XLogP4.25
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methylisoxazol-3-yl)-2-(4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-ylthio)acetamide
CID 656360
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
N-(5-methylisoxazol-3-yl)-4-{[4-thien-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
CID 3245634
N-(5-methyl-3-isoxazolyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide
CID 16332572
N-(5-methyl-3-isoxazolyl)-3-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}propanamide
CID 2237010
N-(5-Methylisoxazol-3-yl)-2-((4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanamide
CID 3145628
2-((4-(4-Fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 993306
N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1140849
2-{[3-Cyano-6-(thiophen-2-YL)-4-(trifluoromethyl)pyridin-2-YL]sulfanyl}-N-(5-methyl-1,2-oxazol-3-YL)butanamide
CID 22331401
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 993288
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 993289
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18275628

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 53364583) is N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1conc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is DWGCNMMKJUDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S2/c1-8-6-24-22-13(8)21-12(23)7-26-14-19-9(10-3-2-4-25-10)5-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23).
What are the key properties of N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 400.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 53364583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).