6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole

C17H16N2OS — CID 79516873

IUPAC6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
SMILESCOc1ccc2nc(C3Cc4ccccc4CN3)sc2c1
InChIInChI=1S/C17H16N2OS/c1-20-13-6-7-14-16(9-13)21-17(19-14)15-8-11-4-2-3-5-12(11)10-18-15/h2-7,9,15,18H,8,10H2,1H3
InChIKeyPCHYOIBATRJLNY-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.69
Rot. Bonds2

About 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole

6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole (PubChem CID 79516873) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
PubChem CID79516873
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
SMILESCOc1ccc2nc(C3Cc4ccccc4CN3)sc2c1
InChIInChI=1S/C17H16N2OS/c1-20-13-6-7-14-16(9-13)21-17(19-14)15-8-11-4-2-3-5-12(11)10-18-15/h2-7,9,15,18H,8,10H2,1H3
InChIKeyPCHYOIBATRJLNY-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 79128855
4-(6-methoxy-1,3-benzothiazol-2-yl)cyclopent-2-en-1-amine
CID 79511518
2-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid
CID 79511094
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
CID 158604119
CID 158604119
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
CID 154691622
2-[1-(6-methoxy-2-methylquinolin-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 4846867
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole (CID 79516873) is 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole is COc1ccc2nc(C3Cc4ccccc4CN3)sc2c1.
What is the InChIKey of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole?
The InChIKey is PCHYOIBATRJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-13-6-7-14-16(9-13)21-17(19-14)15-8-11-4-2-3-5-12(11)10-18-15/h2-7,9,15,18H,8,10H2,1H3.
What are the key properties of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole?
6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole has a molecular weight of 296.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 79516873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).