3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one

C11H14N2OS — CID 14995369

IUPAC3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one
SMILESCNCCc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C11H14N2OS/c1-12-6-5-8-3-4-9-10(7-8)15-11(14)13(9)2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUVAMWYUCDJLPHW-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.36
Rot. Bonds3

About 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one

3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one (PubChem CID 14995369) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one
PubChem CID14995369
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one
SMILESCNCCc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C11H14N2OS/c1-12-6-5-8-3-4-9-10(7-8)15-11(14)13(9)2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUVAMWYUCDJLPHW-UHFFFAOYSA-N
XLogP1.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one (CID 14995369) is 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one is CNCCc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one?
The InChIKey is UVAMWYUCDJLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-12-6-5-8-3-4-9-10(7-8)15-11(14)13(9)2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one?
3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(methylamino)ethyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 14995369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).