2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole

C14H14N2S — CID 3006728

IUPAC2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESCCC1(c2ccccn2)Nc2ccccc2S1
InChIInChI=1S/C14H14N2S/c1-2-14(13-9-5-6-10-15-13)16-11-7-3-4-8-12(11)17-14/h3-10,16H,2H2,1H3
InChIKeyUEQUNCNCSWJXQT-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.86
Rot. Bonds2

About 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole

2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole (PubChem CID 3006728) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole.

Molecular Properties

Compound Name2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole
PubChem CID3006728
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESCCC1(c2ccccn2)Nc2ccccc2S1
InChIInChI=1S/C14H14N2S/c1-2-14(13-9-5-6-10-15-13)16-11-7-3-4-8-12(11)17-14/h3-10,16H,2H2,1H3
InChIKeyUEQUNCNCSWJXQT-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The IUPAC name of 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole (CID 3006728) is 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole.
What is the SMILES notation for 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The canonical SMILES for 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole is CCC1(c2ccccn2)Nc2ccccc2S1.
What is the InChIKey of 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The InChIKey is UEQUNCNCSWJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-14(13-9-5-6-10-15-13)16-11-7-3-4-8-12(11)17-14/h3-10,16H,2H2,1H3.
What are the key properties of 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole has a molecular weight of 242.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole is sourced from PubChem (CID 3006728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).