3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

C11H9F3N4O3S2 — CID 118298962

IUPAC3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cccnc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N4O3S2/c1-2-23(20,21)6-4-3-5-15-7(6)8(19)16-10-18-17-9(22-10)11(12,13)14/h3-5H,2H2,1H3,(H,16,18,19)
InChIKeySLHRCKPMWULALZ-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.00
Rot. Bonds4

About 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 118298962) has the molecular formula C11H9F3N4O3S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID118298962
Molecular FormulaC11H9F3N4O3S2
Molecular Weight366.35 g/mol
Exact Mass366.01
IUPAC Name3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cccnc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N4O3S2/c1-2-23(20,21)6-4-3-5-15-7(6)8(19)16-10-18-17-9(22-10)11(12,13)14/h3-5H,2H2,1H3,(H,16,18,19)
InChIKeySLHRCKPMWULALZ-UHFFFAOYSA-N
XLogP2.00
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethylsulfonyl-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118294577
N-[2-amino-5-(trifluoromethylsulfonyl)phenyl]-3-ethylsulfonylpyridine-2-carboxamide
CID 163643101
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
3-ethylsulfonyl-N-[2-hydroxy-5-(trifluoromethylsulfinyl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 118609545
2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 162150154
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
CID 71891755
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
ethyl 2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetate
CID 2780200
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 118298962) is 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is CCS(=O)(=O)c1cccnc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is SLHRCKPMWULALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S2/c1-2-23(20,21)6-4-3-5-15-7(6)8(19)16-10-18-17-9(22-10)11(12,13)14/h3-5H,2H2,1H3,(H,16,18,19).
What are the key properties of 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118298962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).