N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C14H8F3N5OS2 — CID 47857402

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccnc1SC(F)(F)F
InChIInChI=1S/C14H8F3N5OS2/c15-14(16,17)25-11-8(4-3-7-19-11)10(23)20-13-22-21-12(24-13)9-5-1-2-6-18-9/h1-7H,(H,20,22,23)
InChIKeyDIZBMYDJXCZSCK-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.86
Rot. Bonds4

About N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 47857402) has the molecular formula C14H8F3N5OS2 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID47857402
Molecular FormulaC14H8F3N5OS2
Molecular Weight383.38 g/mol
Exact Mass383.01
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccnc1SC(F)(F)F
InChIInChI=1S/C14H8F3N5OS2/c15-14(16,17)25-11-8(4-3-7-19-11)10(23)20-13-22-21-12(24-13)9-5-1-2-6-18-9/h1-7H,(H,20,22,23)
InChIKeyDIZBMYDJXCZSCK-UHFFFAOYSA-N
XLogP3.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
S-[4-[[2-(trifluoromethylsulfanyl)pyridine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576723
2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167956308
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55979153
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 167804601
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
2-fluoro-N-[2-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 107363029

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 47857402) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)c1cccnc1SC(F)(F)F.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is DIZBMYDJXCZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5OS2/c15-14(16,17)25-11-8(4-3-7-19-11)10(23)20-13-22-21-12(24-13)9-5-1-2-6-18-9/h1-7H,(H,20,22,23).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 47857402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).