N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide

C19H14N4OS2 — CID 1280497

IUPACN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4OS2/c24-16(12-25-17-11-10-13-6-4-5-9-15(13)20-17)21-19-22-18(26-23-19)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,23,24)
InChIKeySRNXTEZHNROSRC-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.48
Rot. Bonds5

About N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide

N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 1280497) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID1280497
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC NameN-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4OS2/c24-16(12-25-17-11-10-13-6-4-5-9-15(13)20-17)21-19-22-18(26-23-19)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,23,24)
InChIKeySRNXTEZHNROSRC-UHFFFAOYSA-N
XLogP4.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide (CID 1280497) is N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is SRNXTEZHNROSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS2/c24-16(12-25-17-11-10-13-6-4-5-9-15(13)20-17)21-19-22-18(26-23-19)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,23,24).
What are the key properties of N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide?
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 378.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 1280497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).