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

C8H8N2S — CID 28160

IUPACN-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccccc2s1
InChIInChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKeyQVKPPRYUGJFISN-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.34
Rot. Bonds1

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

N-methyl-1,3-benzothiazol-2-amine (PubChem CID 28160) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-1,3-benzothiazol-2-amine
PubChem CID28160
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccccc2s1
InChIInChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKeyQVKPPRYUGJFISN-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-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 N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-1,3-benzothiazol-2-amine (CID 28160) is N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-1,3-benzothiazol-2-amine is CNc1nc2ccccc2s1.
What is the InChIKey of N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is QVKPPRYUGJFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10).
What are the key properties of N-methyl-1,3-benzothiazol-2-amine?
N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 164.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 28160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).