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

C15H11F3N4O2S2 — CID 656360

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)no1
InChIInChI=1S/C15H11F3N4O2S2/c1-8-5-12(22-24-8)21-13(23)7-26-14-19-9(10-3-2-4-25-10)6-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyOPVMJGVYIBFRIV-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.25
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 656360) has the molecular formula C15H11F3N4O2S2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID656360
Molecular FormulaC15H11F3N4O2S2
Molecular Weight400.41 g/mol
Exact Mass400.03
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)no1
InChIInChI=1S/C15H11F3N4O2S2/c1-8-5-12(22-24-8)21-13(23)7-26-14-19-9(10-3-2-4-25-10)6-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyOPVMJGVYIBFRIV-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-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
2-[2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42601207
N-(5-methyl-3-isoxazolyl)-3-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}propanamide
CID 2037235
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8882421
N-(5-methyl-3-isoxazolyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide
CID 16332572
2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35999276
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16313760
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-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7207537
2-((4-(4-Fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 993306

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 656360) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is OPVMJGVYIBFRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S2/c1-8-5-12(22-24-8)21-13(23)7-26-14-19-9(10-3-2-4-25-10)6-11(20-14)15(16,17)18/h2-6H,7H2,1H3,(H,21,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-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-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 656360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).