3-methyl-2H-1,3-benzothiazol-2-amine

C8H10N2S — CID 13134265

IUPAC3-methyl-2H-1,3-benzothiazol-2-amine
SMILESCN1c2ccccc2SC1N
InChIInChI=1S/C8H10N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,8H,9H2,1H3
InChIKeyXVPUUGMMFIGPMT-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.47
Rot. Bonds

About 3-methyl-2H-1,3-benzothiazol-2-amine

3-methyl-2H-1,3-benzothiazol-2-amine (PubChem CID 13134265) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-methyl-2H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name3-methyl-2H-1,3-benzothiazol-2-amine
PubChem CID13134265
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name3-methyl-2H-1,3-benzothiazol-2-amine
SMILESCN1c2ccccc2SC1N
InChIInChI=1S/C8H10N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,8H,9H2,1H3
InChIKeyXVPUUGMMFIGPMT-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2H-1,3-benzothiazol-2-amine 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 3-methyl-2H-1,3-benzothiazol-2-amine?
The IUPAC name of 3-methyl-2H-1,3-benzothiazol-2-amine (CID 13134265) is 3-methyl-2H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 3-methyl-2H-1,3-benzothiazol-2-amine?
The canonical SMILES for 3-methyl-2H-1,3-benzothiazol-2-amine is CN1c2ccccc2SC1N.
What is the InChIKey of 3-methyl-2H-1,3-benzothiazol-2-amine?
The InChIKey is XVPUUGMMFIGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,8H,9H2,1H3.
What are the key properties of 3-methyl-2H-1,3-benzothiazol-2-amine?
3-methyl-2H-1,3-benzothiazol-2-amine has a molecular weight of 166.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 13134265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).