5-ethoxy-2,4-dimethyl-1,3-benzothiazole

C11H13NOS — CID 91405697

IUPAC5-ethoxy-2,4-dimethyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1C
InChIInChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3
InChIKeyKBRQGOSHMXOCJP-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.31
Rot. Bonds2

About 5-ethoxy-2,4-dimethyl-1,3-benzothiazole

5-ethoxy-2,4-dimethyl-1,3-benzothiazole (PubChem CID 91405697) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-ethoxy-2,4-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethoxy-2,4-dimethyl-1,3-benzothiazole
PubChem CID91405697
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5-ethoxy-2,4-dimethyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1C
InChIInChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3
InChIKeyKBRQGOSHMXOCJP-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The IUPAC name of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole (CID 91405697) is 5-ethoxy-2,4-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The canonical SMILES for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole is CCOc1ccc2sc(C)nc2c1C.
What is the InChIKey of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The InChIKey is KBRQGOSHMXOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
5-ethoxy-2,4-dimethyl-1,3-benzothiazole has a molecular weight of 207.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 91405697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).