3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide

C14H11F6N3O3S2 — CID 118533945

IUPAC3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)/N=c1\scc(C(F)(F)F)n1C
InChIInChI=1S/C14H11F6N3O3S2/c1-3-28(25,26)8-4-7(13(15,16)17)5-21-10(8)11(24)22-12-23(2)9(6-27-12)14(18,19)20/h4-6H,3H2,1-2H3/b22-12-
InChIKeySCSVMYJWQKHGOF-UUYOSTAYSA-N
MW447.38 g/mol
LogP3.05
Rot. Bonds3

About 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118533945) has the molecular formula C14H11F6N3O3S2 and a molecular weight of 447.38 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118533945
Molecular FormulaC14H11F6N3O3S2
Molecular Weight447.38 g/mol
Exact Mass447.01
IUPAC Name3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)/N=c1\scc(C(F)(F)F)n1C
InChIInChI=1S/C14H11F6N3O3S2/c1-3-28(25,26)8-4-7(13(15,16)17)5-21-10(8)11(24)22-12-23(2)9(6-27-12)14(18,19)20/h4-6H,3H2,1-2H3/b22-12-
InChIKeySCSVMYJWQKHGOF-UUYOSTAYSA-N
XLogP3.05
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299060
3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299006
3-ethylsulfonyl-N-[3-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-ylidene]-5-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 121390615
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
5-(3-cyanophenyl)-3-ethylsulfonyl-N-[3-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-ylidene]pyridine-2-carboxamide
CID 140941777
3-ethylsulfonyl-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118294577
3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 168753793
1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 159170726
3-ethylsulfonyl-2-[4-methyl-5-[5-(trifluoromethyl)thiophen-2-yl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 134306727
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
3-ethylsulfonyl-2-[5-(2-fluoro-4-pyridinyl)-1-methylimidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 129040701

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 118533945) is 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)/N=c1\scc(C(F)(F)F)n1C.
What is the InChIKey of 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SCSVMYJWQKHGOF-UUYOSTAYSA-N. The full InChI is InChI=1S/C14H11F6N3O3S2/c1-3-28(25,26)8-4-7(13(15,16)17)5-21-10(8)11(24)22-12-23(2)9(6-27-12)14(18,19)20/h4-6H,3H2,1-2H3/b22-12-.
What are the key properties of 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 447.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118533945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).