5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole

C17H16N2S — CID 65263305

IUPAC5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole
SMILESCc1ccc2sc(C3CNCc4ccccc43)nc2c1
InChIInChI=1S/C17H16N2S/c1-11-6-7-16-15(8-11)19-17(20-16)14-10-18-9-12-4-2-3-5-13(12)14/h2-8,14,18H,9-10H2,1H3
InChIKeyYIKNSQIOIZYYHG-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.84
Rot. Bonds1

About 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole

5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole (PubChem CID 65263305) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole
PubChem CID65263305
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole
SMILESCc1ccc2sc(C3CNCc4ccccc43)nc2c1
InChIInChI=1S/C17H16N2S/c1-11-6-7-16-15(8-11)19-17(20-16)14-10-18-9-12-4-2-3-5-13(12)14/h2-8,14,18H,9-10H2,1H3
InChIKeyYIKNSQIOIZYYHG-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole?
The IUPAC name of 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole (CID 65263305) is 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole is Cc1ccc2sc(C3CNCc4ccccc43)nc2c1.
What is the InChIKey of 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole?
The InChIKey is YIKNSQIOIZYYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-6-7-16-15(8-11)19-17(20-16)14-10-18-9-12-4-2-3-5-13(12)14/h2-8,14,18H,9-10H2,1H3.
What are the key properties of 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole?
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole has a molecular weight of 280.40 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 65263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).