2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H20N2OS2 — CID 143675185

IUPAC2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccc(C)cc2s1
InChIInChI=1S/C20H20N2OS2/c1-13-6-8-17-15(10-13)4-3-9-22(17)19(23)12-24-20-21-16-7-5-14(2)11-18(16)25-20/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyKJEGXVBYQLKLIX-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.98
Rot. Bonds3

About 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 143675185) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID143675185
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccc(C)cc2s1
InChIInChI=1S/C20H20N2OS2/c1-13-6-8-17-15(10-13)4-3-9-22(17)19(23)12-24-20-21-16-7-5-14(2)11-18(16)25-20/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyKJEGXVBYQLKLIX-UHFFFAOYSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanone
CID 25101072
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-(3,6-dimethylquinolin-2-yl)sulfanylethanone
CID 1143736
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34225384
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 34226103
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide
CID 4179605

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 143675185) is 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is KJEGXVBYQLKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-13-6-8-17-15(10-13)4-3-9-22(17)19(23)12-24-20-21-16-7-5-14(2)11-18(16)25-20/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 368.53 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 143675185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).