2-(1H-indol-6-yl)-1,3-benzothiazole

C15H10N2S — CID 15461511

IUPAC2-(1H-indol-6-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4cc[nH]c4c3)nc2c1
InChIInChI=1S/C15H10N2S/c1-2-4-14-12(3-1)17-15(18-14)11-6-5-10-7-8-16-13(10)9-11/h1-9,16H
InChIKeyBJUNXHFWEYMDGE-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.44
Rot. Bonds1

About 2-(1H-indol-6-yl)-1,3-benzothiazole

2-(1H-indol-6-yl)-1,3-benzothiazole (PubChem CID 15461511) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-1,3-benzothiazole
PubChem CID15461511
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-(1H-indol-6-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4cc[nH]c4c3)nc2c1
InChIInChI=1S/C15H10N2S/c1-2-4-14-12(3-1)17-15(18-14)11-6-5-10-7-8-16-13(10)9-11/h1-9,16H
InChIKeyBJUNXHFWEYMDGE-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-(1-benzofuran-6-yl)-1,3-benzothiazole
CID 123795055
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-indol-6-yl)-1,3-benzothiazole (CID 15461511) is 2-(1H-indol-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-indol-6-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-indol-6-yl)-1,3-benzothiazole is c1ccc2sc(-c3ccc4cc[nH]c4c3)nc2c1.
What is the InChIKey of 2-(1H-indol-6-yl)-1,3-benzothiazole?
The InChIKey is BJUNXHFWEYMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-2-4-14-12(3-1)17-15(18-14)11-6-5-10-7-8-16-13(10)9-11/h1-9,16H.
What are the key properties of 2-(1H-indol-6-yl)-1,3-benzothiazole?
2-(1H-indol-6-yl)-1,3-benzothiazole has a molecular weight of 250.33 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 15461511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).