N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide

C15H11FN4OS2 — CID 162626422

IUPACN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1nsc(SCc2ccccc2)n1)c1ccncc1F
InChIInChI=1S/C15H11FN4OS2/c16-12-8-17-7-6-11(12)13(21)18-14-19-15(23-20-14)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20,21)
InChIKeyAMCPAMTUJJGZRH-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.62
Rot. Bonds5

About N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide

N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 162626422) has the molecular formula C15H11FN4OS2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide
PubChem CID162626422
Molecular FormulaC15H11FN4OS2
Molecular Weight346.41 g/mol
Exact Mass346.04
IUPAC NameN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1nsc(SCc2ccccc2)n1)c1ccncc1F
InChIInChI=1S/C15H11FN4OS2/c16-12-8-17-7-6-11(12)13(21)18-14-19-15(23-20-14)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20,21)
InChIKeyAMCPAMTUJJGZRH-UHFFFAOYSA-N
XLogP3.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide;formic acid
CID 155972549
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 162626817
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide (CID 162626422) is N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide is O=C(Nc1nsc(SCc2ccccc2)n1)c1ccncc1F.
What is the InChIKey of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is AMCPAMTUJJGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS2/c16-12-8-17-7-6-11(12)13(21)18-14-19-15(23-20-14)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20,21).
What are the key properties of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide?
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 162626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).