6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole

C17H16N2S — CID 106902598

IUPAC6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
SMILESCc1ccc2nc(C3CNc4ccccc4C3)sc2c1
InChIInChI=1S/C17H16N2S/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3
InChIKeyBOGKEZVHTBOFQB-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.36
Rot. Bonds1

About 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole

6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole (PubChem CID 106902598) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
PubChem CID106902598
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
SMILESCc1ccc2nc(C3CNc4ccccc4C3)sc2c1
InChIInChI=1S/C17H16N2S/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3
InChIKeyBOGKEZVHTBOFQB-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-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

Related Compounds

6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902599
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole
CID 65263305
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 43305030
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
2-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 79142019
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 78908767
7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 83753051
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole (CID 106902598) is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole is Cc1ccc2nc(C3CNc4ccccc4C3)sc2c1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The InChIKey is BOGKEZVHTBOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3.
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole has a molecular weight of 280.40 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 106902598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).