2-(2-methylquinolin-3-yl)-1,3-benzothiazole

C17H12N2S — CID 163587218

IUPAC2-(2-methylquinolin-3-yl)-1,3-benzothiazole
SMILESCc1nc2ccccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H12N2S/c1-11-13(10-12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3
InChIKeyGMMILYBAHPQGQE-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.82
Rot. Bonds1

About 2-(2-methylquinolin-3-yl)-1,3-benzothiazole

2-(2-methylquinolin-3-yl)-1,3-benzothiazole (PubChem CID 163587218) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-methylquinolin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methylquinolin-3-yl)-1,3-benzothiazole
PubChem CID163587218
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-(2-methylquinolin-3-yl)-1,3-benzothiazole
SMILESCc1nc2ccccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H12N2S/c1-11-13(10-12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3
InChIKeyGMMILYBAHPQGQE-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
10-methylthiochromeno[2,3-b]indole
CID 150606991
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
2-(2,8-dichloro-7-methylquinolin-3-yl)-1,3-benzothiazole
CID 155806756
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
zinc bis(2-(1,3-benzothiazol-2-yl)-4-[4-(dimethylamino)phenyl]phenolate)
CID 56654205
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
2-[4-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methylquinolin-3-yl)-1,3-benzothiazole (CID 163587218) is 2-(2-methylquinolin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methylquinolin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methylquinolin-3-yl)-1,3-benzothiazole is Cc1nc2ccccc2cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methylquinolin-3-yl)-1,3-benzothiazole?
The InChIKey is GMMILYBAHPQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-11-13(10-12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3.
What are the key properties of 2-(2-methylquinolin-3-yl)-1,3-benzothiazole?
2-(2-methylquinolin-3-yl)-1,3-benzothiazole has a molecular weight of 276.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 163587218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).