6-ethoxy-N-methyl-1,3-benzothiazol-2-amine

C10H12N2OS — CID 3018244

IUPAC6-ethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC)sc2c1
InChIInChI=1S/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyQWYAAGWZTKAZFC-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.74
Rot. Bonds3

About 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine

6-ethoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 3018244) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID3018244
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-ethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC)sc2c1
InChIInChI=1S/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyQWYAAGWZTKAZFC-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine (CID 3018244) is 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NC)sc2c1.
What is the InChIKey of 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is QWYAAGWZTKAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
6-ethoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3018244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).