2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide

C18H12F3N5O2S — CID 652747

IUPAC2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide
SMILESCc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1
InChIInChI=1S/C18H12F3N5O2S/c1-10-8-28-17(24-10)26-15(27)9-29-16-12(7-22)13(18(19,20)21)6-14(25-16)11-2-4-23-5-3-11/h2-6,8H,9H2,1H3,(H,24,26,27)
InChIKeyLDRHEJHBPWLHPP-UHFFFAOYSA-N
MW419.39 g/mol
LogP4.06
Rot. Bonds5

About 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide

2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide (PubChem CID 652747) has the molecular formula C18H12F3N5O2S and a molecular weight of 419.39 g/mol. Its IUPAC name is 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide
PubChem CID652747
Molecular FormulaC18H12F3N5O2S
Molecular Weight419.39 g/mol
Exact Mass419.07
IUPAC Name2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide
SMILESCc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1
InChIInChI=1S/C18H12F3N5O2S/c1-10-8-28-17(24-10)26-15(27)9-29-16-12(7-22)13(18(19,20)21)6-14(25-16)11-2-4-23-5-3-11/h2-6,8H,9H2,1H3,(H,24,26,27)
InChIKeyLDRHEJHBPWLHPP-UHFFFAOYSA-N
XLogP4.06
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide with MolForge

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Related Compounds

2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 4184429
N-(4-chlorophenyl)-2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 3864121
2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 125117471
2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
CID 2712223
2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 2975333
N-(3-acetylphenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 1230595
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 1301831
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 46812431
methyl 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 4778337
2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047859
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3132914
2-[[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 4173039

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The IUPAC name of 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide (CID 652747) is 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide is Cc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1.
What is the InChIKey of 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The InChIKey is LDRHEJHBPWLHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2S/c1-10-8-28-17(24-10)26-15(27)9-29-16-12(7-22)13(18(19,20)21)6-14(25-16)11-2-4-23-5-3-11/h2-6,8H,9H2,1H3,(H,24,26,27).
What are the key properties of 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide has a molecular weight of 419.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide is sourced from PubChem (CID 652747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).