7-methoxy-1,3-benzothiazol-6-amine

C8H8N2OS — CID 45077103

IUPAC7-methoxy-1,3-benzothiazol-6-amine
SMILESCOc1c(N)ccc2ncsc12
InChIInChI=1S/C8H8N2OS/c1-11-7-5(9)2-3-6-8(7)12-4-10-6/h2-4H,9H2,1H3
InChIKeyPCQCGZLJFTZEGO-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds1

About 7-methoxy-1,3-benzothiazol-6-amine

7-methoxy-1,3-benzothiazol-6-amine (PubChem CID 45077103) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 7-methoxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name7-methoxy-1,3-benzothiazol-6-amine
PubChem CID45077103
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name7-methoxy-1,3-benzothiazol-6-amine
SMILESCOc1c(N)ccc2ncsc12
InChIInChI=1S/C8H8N2OS/c1-11-7-5(9)2-3-6-8(7)12-4-10-6/h2-4H,9H2,1H3
InChIKeyPCQCGZLJFTZEGO-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-methoxy-1,3-benzothiazol-6-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 7-methoxy-1,3-benzothiazol-6-amine?
The IUPAC name of 7-methoxy-1,3-benzothiazol-6-amine (CID 45077103) is 7-methoxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for 7-methoxy-1,3-benzothiazol-6-amine?
The canonical SMILES for 7-methoxy-1,3-benzothiazol-6-amine is COc1c(N)ccc2ncsc12.
What is the InChIKey of 7-methoxy-1,3-benzothiazol-6-amine?
The InChIKey is PCQCGZLJFTZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-7-5(9)2-3-6-8(7)12-4-10-6/h2-4H,9H2,1H3.
What are the key properties of 7-methoxy-1,3-benzothiazol-6-amine?
7-methoxy-1,3-benzothiazol-6-amine has a molecular weight of 180.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 45077103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).