4-quinolin-2-yl-1,3-benzothiazole

C16H10N2S — CID 54266473

IUPAC4-quinolin-2-yl-1,3-benzothiazole
SMILESc1ccc2nc(-c3cccc4scnc34)ccc2c1
InChIInChI=1S/C16H10N2S/c1-2-6-13-11(4-1)8-9-14(18-13)12-5-3-7-15-16(12)17-10-19-15/h1-10H
InChIKeyORFTYYAHVCVDMB-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.51
Rot. Bonds1

About 4-quinolin-2-yl-1,3-benzothiazole

4-quinolin-2-yl-1,3-benzothiazole (PubChem CID 54266473) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-quinolin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-quinolin-2-yl-1,3-benzothiazole
PubChem CID54266473
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name4-quinolin-2-yl-1,3-benzothiazole
SMILESc1ccc2nc(-c3cccc4scnc34)ccc2c1
InChIInChI=1S/C16H10N2S/c1-2-6-13-11(4-1)8-9-14(18-13)12-5-3-7-15-16(12)17-10-19-15/h1-10H
InChIKeyORFTYYAHVCVDMB-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1,3-benzothiazol-4-yl)quinoxalin-2-yl]-1,3-benzothiazole
CID 141412719
4-chloro-1,3-benzothiazole;quinoline
CID 157349883
3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine
CID 155778547
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-(2-fluorophenyl)quinoline
CID 11622684
[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
CID 174795026
1,3-benzothiazole;trihydrochloride
CID 162189976
octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;zinc
CID 66588590
azane;1,3-benzothiazole
CID 68815700
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
CID 171419628

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-2-yl-1,3-benzothiazole?
The IUPAC name of 4-quinolin-2-yl-1,3-benzothiazole (CID 54266473) is 4-quinolin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 4-quinolin-2-yl-1,3-benzothiazole?
The canonical SMILES for 4-quinolin-2-yl-1,3-benzothiazole is c1ccc2nc(-c3cccc4scnc34)ccc2c1.
What is the InChIKey of 4-quinolin-2-yl-1,3-benzothiazole?
The InChIKey is ORFTYYAHVCVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c1-2-6-13-11(4-1)8-9-14(18-13)12-5-3-7-15-16(12)17-10-19-15/h1-10H.
What are the key properties of 4-quinolin-2-yl-1,3-benzothiazole?
4-quinolin-2-yl-1,3-benzothiazole has a molecular weight of 262.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 54266473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).