5-ethyl-3-methyl-1,2-benzothiazole

C10H11NS — CID 70297880

IUPAC5-ethyl-3-methyl-1,2-benzothiazole
SMILESCCc1ccc2snc(C)c2c1
InChIInChI=1S/C10H11NS/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3
InChIKeyODQFQOJBZQKKKD-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.17
Rot. Bonds1

About 5-ethyl-3-methyl-1,2-benzothiazole

5-ethyl-3-methyl-1,2-benzothiazole (PubChem CID 70297880) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2-benzothiazole
PubChem CID70297880
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5-ethyl-3-methyl-1,2-benzothiazole
SMILESCCc1ccc2snc(C)c2c1
InChIInChI=1S/C10H11NS/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3
InChIKeyODQFQOJBZQKKKD-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3-methyl-1,2-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,2-benzothiazole?
The IUPAC name of 5-ethyl-3-methyl-1,2-benzothiazole (CID 70297880) is 5-ethyl-3-methyl-1,2-benzothiazole.
What is the SMILES notation for 5-ethyl-3-methyl-1,2-benzothiazole?
The canonical SMILES for 5-ethyl-3-methyl-1,2-benzothiazole is CCc1ccc2snc(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-1,2-benzothiazole?
The InChIKey is ODQFQOJBZQKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,2-benzothiazole?
5-ethyl-3-methyl-1,2-benzothiazole has a molecular weight of 177.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2-benzothiazole is sourced from PubChem (CID 70297880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).