[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine

C14H12N2OS — CID 66356165

IUPAC[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine
SMILESNCc1ccc(Oc2snc3ccccc23)cc1
InChIInChI=1S/C14H12N2OS/c15-9-10-5-7-11(8-6-10)17-14-12-3-1-2-4-13(12)16-18-14/h1-8H,9,15H2
InChIKeyWZTNXSDAYGEKKS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.55
Rot. Bonds3

About [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine

[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine (PubChem CID 66356165) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine
PubChem CID66356165
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine
SMILESNCc1ccc(Oc2snc3ccccc23)cc1
InChIInChI=1S/C14H12N2OS/c15-9-10-5-7-11(8-6-10)17-14-12-3-1-2-4-13(12)16-18-14/h1-8H,9,15H2
InChIKeyWZTNXSDAYGEKKS-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine 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 [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine?
The IUPAC name of [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine (CID 66356165) is [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine.
What is the SMILES notation for [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine?
The canonical SMILES for [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine is NCc1ccc(Oc2snc3ccccc23)cc1.
What is the InChIKey of [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine?
The InChIKey is WZTNXSDAYGEKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-9-10-5-7-11(8-6-10)17-14-12-3-1-2-4-13(12)16-18-14/h1-8H,9,15H2.
What are the key properties of [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine?
[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine has a molecular weight of 256.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 66356165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).