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

C19H18N2O2S2 — CID 59467896

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2sc(SCC(=O)N3CCCc4ccccc43)nc2c1
InChIInChI=1S/C19H18N2O2S2/c1-23-14-8-9-17-15(11-14)20-19(25-17)24-12-18(22)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyHAEQLXTVTRCMRZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.38
Rot. Bonds4

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone (PubChem CID 59467896) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
PubChem CID59467896
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2sc(SCC(=O)N3CCCc4ccccc43)nc2c1
InChIInChI=1S/C19H18N2O2S2/c1-23-14-8-9-17-15(11-14)20-19(25-17)24-12-18(22)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyHAEQLXTVTRCMRZ-UHFFFAOYSA-N
XLogP4.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanone
CID 25101072
1-(2,3-dihydroindol-1-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4859010
2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143675185
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8699580
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41249464
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533100
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878976
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42886374
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone (CID 59467896) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone is COc1ccc2sc(SCC(=O)N3CCCc4ccccc43)nc2c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The InChIKey is HAEQLXTVTRCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-23-14-8-9-17-15(11-14)20-19(25-17)24-12-18(22)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 4.38, 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-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 59467896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).