N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

C20H14N6OS2 — CID 1280502

IUPACN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccc3ccccc3n12)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C20H14N6OS2/c27-17(21-19-22-18(29-25-19)14-7-2-1-3-8-14)12-28-20-24-23-16-11-10-13-6-4-5-9-15(13)26(16)20/h1-11H,12H2,(H,21,25,27)
InChIKeyLHDKNGGVSARFHQ-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.13
Rot. Bonds5

About N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (PubChem CID 1280502) has the molecular formula C20H14N6OS2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
PubChem CID1280502
Molecular FormulaC20H14N6OS2
Molecular Weight418.51 g/mol
Exact Mass418.07
IUPAC NameN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccc3ccccc3n12)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C20H14N6OS2/c27-17(21-19-22-18(29-25-19)14-7-2-1-3-8-14)12-28-20-24-23-16-11-10-13-6-4-5-9-15(13)26(16)20/h1-11H,12H2,(H,21,25,27)
InChIKeyLHDKNGGVSARFHQ-UHFFFAOYSA-N
XLogP4.13
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The IUPAC name of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (CID 1280502) is N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is O=C(CSc1nnc2ccc3ccccc3n12)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The InChIKey is LHDKNGGVSARFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS2/c27-17(21-19-22-18(29-25-19)14-7-2-1-3-8-14)12-28-20-24-23-16-11-10-13-6-4-5-9-15(13)26(16)20/h1-11H,12H2,(H,21,25,27).
What are the key properties of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide has a molecular weight of 418.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is sourced from PubChem (CID 1280502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).