3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole

C11H15NOS — CID 171036663

IUPAC3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole
SMILESCCON1c2ccc(C)cc2SC1C
InChIInChI=1S/C11H15NOS/c1-4-13-12-9(3)14-11-7-8(2)5-6-10(11)12/h5-7,9H,4H2,1-3H3
InChIKeyQPKIKJGUGGUYIU-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.20
Rot. Bonds2

About 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole

3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole (PubChem CID 171036663) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole.

Molecular Properties

Compound Name3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole
PubChem CID171036663
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole
SMILESCCON1c2ccc(C)cc2SC1C
InChIInChI=1S/C11H15NOS/c1-4-13-12-9(3)14-11-7-8(2)5-6-10(11)12/h5-7,9H,4H2,1-3H3
InChIKeyQPKIKJGUGGUYIU-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole?
The IUPAC name of 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole (CID 171036663) is 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole.
What is the SMILES notation for 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole?
The canonical SMILES for 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole is CCON1c2ccc(C)cc2SC1C.
What is the InChIKey of 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole?
The InChIKey is QPKIKJGUGGUYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-13-12-9(3)14-11-7-8(2)5-6-10(11)12/h5-7,9H,4H2,1-3H3.
What are the key properties of 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole?
3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole has a molecular weight of 209.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole is sourced from PubChem (CID 171036663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).