1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone

C20H19N3OS2 — CID 4148851

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
SMILESCc1ccccc1-c1nsc(SCC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C20H19N3OS2/c1-14-7-2-4-10-16(14)19-21-20(26-22-19)25-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyFBSCIHKTHZDPPT-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.59
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone (PubChem CID 4148851) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
PubChem CID4148851
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
SMILESCc1ccccc1-c1nsc(SCC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C20H19N3OS2/c1-14-7-2-4-10-16(14)19-21-20(26-22-19)25-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyFBSCIHKTHZDPPT-UHFFFAOYSA-N
XLogP4.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2366812
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 30862978
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylethanone
CID 1169557
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259274
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanylethanone
CID 1143736
1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 38638828
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 59467896
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanone
CID 25101072
4-tert-butyl-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3263653
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethylazanium
CID 7385535
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 60519630

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone (CID 4148851) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone is Cc1ccccc1-c1nsc(SCC(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone?
The InChIKey is FBSCIHKTHZDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-14-7-2-4-10-16(14)19-21-20(26-22-19)25-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone has a molecular weight of 381.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone is sourced from PubChem (CID 4148851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).