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

C15H10N2S — CID 135502625

IUPAC2-(1H-indol-3-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H10N2S/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15/h1-9,16H
InChIKeyULIFIGWPOWNVJU-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.44
Rot. Bonds1

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

2-(1H-indol-3-yl)-1,3-benzothiazole (PubChem CID 135502625) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1,3-benzothiazole
PubChem CID135502625
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-(1H-indol-3-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H10N2S/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15/h1-9,16H
InChIKeyULIFIGWPOWNVJU-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

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(1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyridin-7-yl)-amine
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Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
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Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
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2-((1H-indol-3-yl)thio)aniline
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2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-indol-3-yl)-1,3-benzothiazole (CID 135502625) is 2-(1H-indol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-1,3-benzothiazole is c1ccc2sc(-c3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1,3-benzothiazole?
The InChIKey is ULIFIGWPOWNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15/h1-9,16H.
What are the key properties of 2-(1H-indol-3-yl)-1,3-benzothiazole?
2-(1H-indol-3-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-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 135502625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).