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

C8H7ClN2S — CID 2726858

IUPAC5-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyZIYKFNBOSWDWSJ-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.99
Rot. Bonds1

About 5-chloro-N-methyl-1,3-benzothiazol-2-amine

5-chloro-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 2726858) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-chloro-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-1,3-benzothiazol-2-amine
PubChem CID2726858
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyZIYKFNBOSWDWSJ-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-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 5-chloro-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-methyl-1,3-benzothiazol-2-amine (CID 2726858) is 5-chloro-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ZIYKFNBOSWDWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-chloro-N-methyl-1,3-benzothiazol-2-amine?
5-chloro-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 198.68 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2726858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).