2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C10H7F3N4OS3 — CID 115382955

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=O)s1
InChIInChI=1S/C10H7F3N4OS3/c1-19-8-16-17-9(21-8)20-7-4(6(14)18)2-3-5(15-7)10(11,12)13/h2-3H,1H3,(H2,14,18)
InChIKeyWZORTWVBSPSNFS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.92
Rot. Bonds4

About 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 115382955) has the molecular formula C10H7F3N4OS3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID115382955
Molecular FormulaC10H7F3N4OS3
Molecular Weight352.39 g/mol
Exact Mass351.97
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=O)s1
InChIInChI=1S/C10H7F3N4OS3/c1-19-8-16-17-9(21-8)20-7-4(6(14)18)2-3-5(15-7)10(11,12)13/h2-3H,1H3,(H2,14,18)
InChIKeyWZORTWVBSPSNFS-UHFFFAOYSA-N
XLogP2.92
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876933
2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877133
2-[(5-chloro-2-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875347
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzoic acid
CID 115383761
2-(4-chlorobutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876806
2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115824731
methyl 3-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropanoate
CID 79874361
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(1-methyltetrazol-5-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79880064
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 115382955) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CSc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=O)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WZORTWVBSPSNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS3/c1-19-8-16-17-9(21-8)20-7-4(6(14)18)2-3-5(15-7)10(11,12)13/h2-3H,1H3,(H2,14,18).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115382955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).