ethane;5-methoxy-2-methyl-1,3-benzothiazole

C11H15NOS — CID 142881099

IUPACethane;5-methoxy-2-methyl-1,3-benzothiazole
SMILESCC.COc1ccc2sc(C)nc2c1
InChIInChI=1S/C9H9NOS.C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyWICHWQPDTQLJSY-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.64
Rot. Bonds1

About ethane;5-methoxy-2-methyl-1,3-benzothiazole

ethane;5-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 142881099) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is ethane;5-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;5-methoxy-2-methyl-1,3-benzothiazole
PubChem CID142881099
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Nameethane;5-methoxy-2-methyl-1,3-benzothiazole
SMILESCC.COc1ccc2sc(C)nc2c1
InChIInChI=1S/C9H9NOS.C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyWICHWQPDTQLJSY-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of ethane;5-methoxy-2-methyl-1,3-benzothiazole (CID 142881099) is ethane;5-methoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for ethane;5-methoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for ethane;5-methoxy-2-methyl-1,3-benzothiazole is CC.COc1ccc2sc(C)nc2c1.
What is the InChIKey of ethane;5-methoxy-2-methyl-1,3-benzothiazole?
The InChIKey is WICHWQPDTQLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS.C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-2-methyl-1,3-benzothiazole?
ethane;5-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 209.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 142881099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).