2-pyridin-3-ylbenzo[e][1,3]benzothiazole

C16H10N2S — CID 13407323

IUPAC2-pyridin-3-ylbenzo[e][1,3]benzothiazole
SMILESc1cncc(-c2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C16H10N2S/c1-2-6-13-11(4-1)7-8-14-15(13)18-16(19-14)12-5-3-9-17-10-12/h1-10H
InChIKeyJRAZYJVQRBJJDE-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.51
Rot. Bonds1

About 2-pyridin-3-ylbenzo[e][1,3]benzothiazole

2-pyridin-3-ylbenzo[e][1,3]benzothiazole (PubChem CID 13407323) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-pyridin-3-ylbenzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name2-pyridin-3-ylbenzo[e][1,3]benzothiazole
PubChem CID13407323
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name2-pyridin-3-ylbenzo[e][1,3]benzothiazole
SMILESc1cncc(-c2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C16H10N2S/c1-2-6-13-11(4-1)7-8-14-15(13)18-16(19-14)12-5-3-9-17-10-12/h1-10H
InChIKeyJRAZYJVQRBJJDE-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

Analyze 2-pyridin-3-ylbenzo[e][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

2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
13-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445656
iridium(3+);pentakis(2-methylbenzo[e][1,3]benzothiazole)
CID 162205439
iridium(3+);tris(2-methylbenzo[e][1,3]benzothiazole)
CID 159400609
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
CID 153310259
2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
CID 58480092
4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole
CID 137473715
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
2-(6-dibenzothiophen-2-yl-3-pyridinyl)-6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzothiazole
CID 176760162
4-isoquinolin-1-yl-8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745956
13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 129289319

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylbenzo[e][1,3]benzothiazole?
The IUPAC name of 2-pyridin-3-ylbenzo[e][1,3]benzothiazole (CID 13407323) is 2-pyridin-3-ylbenzo[e][1,3]benzothiazole.
What is the SMILES notation for 2-pyridin-3-ylbenzo[e][1,3]benzothiazole?
The canonical SMILES for 2-pyridin-3-ylbenzo[e][1,3]benzothiazole is c1cncc(-c2nc3c(ccc4ccccc43)s2)c1.
What is the InChIKey of 2-pyridin-3-ylbenzo[e][1,3]benzothiazole?
The InChIKey is JRAZYJVQRBJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c1-2-6-13-11(4-1)7-8-14-15(13)18-16(19-14)12-5-3-9-17-10-12/h1-10H.
What are the key properties of 2-pyridin-3-ylbenzo[e][1,3]benzothiazole?
2-pyridin-3-ylbenzo[e][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 2-pyridin-3-ylbenzo[e][1,3]benzothiazole is sourced from PubChem (CID 13407323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).