N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide

C20H16N4OS2 — CID 4256433

IUPACN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCc1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1
InChIInChI=1S/C20H16N4OS2/c1-13-6-8-15(9-7-13)19-23-20(24-27-19)22-17(25)12-26-18-11-10-14-4-2-3-5-16(14)21-18/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyDTWOIEBOUFDVOG-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.79
Rot. Bonds5

About N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide

N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 4256433) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID4256433
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC NameN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCc1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1
InChIInChI=1S/C20H16N4OS2/c1-13-6-8-15(9-7-13)19-23-20(24-27-19)22-17(25)12-26-18-11-10-14-4-2-3-5-16(14)21-18/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyDTWOIEBOUFDVOG-UHFFFAOYSA-N
XLogP4.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide (CID 4256433) is N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide is Cc1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is DTWOIEBOUFDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c1-13-6-8-15(9-7-13)19-23-20(24-27-19)22-17(25)12-26-18-11-10-14-4-2-3-5-16(14)21-18/h2-11H,12H2,1H3,(H,22,24,25).
What are the key properties of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 392.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 4256433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).