2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine

C9H9ClN2S — CID 7131974

IUPAC2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2
InChIKeyWLRNHOUULSVXDQ-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.45
Rot. Bonds2

About 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine

2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 7131974) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID7131974
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2
InChIKeyWLRNHOUULSVXDQ-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine 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 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine (CID 7131974) is 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine is NCCc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is WLRNHOUULSVXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine?
2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 212.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 7131974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).