2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole

C19H20N2OS — CID 121083646

IUPAC2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole
SMILESCOc1ccc2c(c1)CCN(c1nc3c(C)c(C)ccc3s1)C2
InChIInChI=1S/C19H20N2OS/c1-12-4-7-17-18(13(12)2)20-19(23-17)21-9-8-14-10-16(22-3)6-5-15(14)11-21/h4-7,10H,8-9,11H2,1-3H3
InChIKeySGOLKMCPZJTNGZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.48
Rot. Bonds2

About 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole

2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole (PubChem CID 121083646) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole
PubChem CID121083646
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole
SMILESCOc1ccc2c(c1)CCN(c1nc3c(C)c(C)ccc3s1)C2
InChIInChI=1S/C19H20N2OS/c1-12-4-7-17-18(13(12)2)20-19(23-17)21-9-8-14-10-16(22-3)6-5-15(14)11-21/h4-7,10H,8-9,11H2,1-3H3
InChIKeySGOLKMCPZJTNGZ-UHFFFAOYSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 52906595
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
5-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1,2,4-thiadiazole
CID 71998078
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 56819735
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
6-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171997932
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133273599
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 26843309
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 118447852

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole (CID 121083646) is 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole is COc1ccc2c(c1)CCN(c1nc3c(C)c(C)ccc3s1)C2.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole?
The InChIKey is SGOLKMCPZJTNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-4-7-17-18(13(12)2)20-19(23-17)21-9-8-14-10-16(22-3)6-5-15(14)11-21/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole?
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole has a molecular weight of 324.45 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 121083646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).