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

C19H13ClN4OS2 — CID 1281724

IUPACN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN4OS2/c20-14-8-5-13(6-9-14)18-23-19(24-27-18)22-16(25)11-26-17-10-7-12-3-1-2-4-15(12)21-17/h1-10H,11H2,(H,22,24,25)
InChIKeyOSIZEGISBQWQSO-UHFFFAOYSA-N
MW412.93 g/mol
LogP5.14
Rot. Bonds5

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

N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 1281724) has the molecular formula C19H13ClN4OS2 and a molecular weight of 412.93 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID1281724
Molecular FormulaC19H13ClN4OS2
Molecular Weight412.93 g/mol
Exact Mass412.02
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN4OS2/c20-14-8-5-13(6-9-14)18-23-19(24-27-18)22-16(25)11-26-17-10-7-12-3-1-2-4-15(12)21-17/h1-10H,11H2,(H,22,24,25)
InChIKeyOSIZEGISBQWQSO-UHFFFAOYSA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.93
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
CID 135449834
N-[5-(4-Tert-butylphenyl)-1,2,4-thiadiazol-3-YL]-2-[(4-methylquinolin-2-YL)sulfanyl]acetamide
CID 3527793
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide
CID 71454902
2-(3-Methyl-quinolin-2-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1153237
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2549639
Acetamide,N-(4-methyl-thiazol-2-YL)-2-[(7,8,9,10-tetrahydro-6-phenanthridinyl)thio]-
CID 3224595
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
CID 4256433
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4256434
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]propanamide
CID 71458523
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]propanamide
CID 71458524
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 984039
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-(quinolin-2-ylsulfanyl)acetamide
CID 1280497

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide (CID 1281724) is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is OSIZEGISBQWQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS2/c20-14-8-5-13(6-9-14)18-23-19(24-27-18)22-16(25)11-26-17-10-7-12-3-1-2-4-15(12)21-17/h1-10H,11H2,(H,22,24,25).
What are the key properties of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide?
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 412.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 1281724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).