8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C12H12N2OS — CID 739121

IUPAC8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCOc1ccc2c(c1)-c1nc(N)sc1CC2
InChIInChI=1S/C12H12N2OS/c1-15-8-4-2-7-3-5-10-11(9(7)6-8)14-12(13)16-10/h2,4,6H,3,5H2,1H3,(H2,13,14)
InChIKeyVJJQBKMQAKBKDC-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.50
Rot. Bonds1

About 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 739121) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID739121
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCOc1ccc2c(c1)-c1nc(N)sc1CC2
InChIInChI=1S/C12H12N2OS/c1-15-8-4-2-7-3-5-10-11(9(7)6-8)14-12(13)16-10/h2,4,6H,3,5H2,1H3,(H2,13,14)
InChIKeyVJJQBKMQAKBKDC-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-4,5-dihydrobenzo[e][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 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 739121) is 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is COc1ccc2c(c1)-c1nc(N)sc1CC2.
What is the InChIKey of 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is VJJQBKMQAKBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-15-8-4-2-7-3-5-10-11(9(7)6-8)14-12(13)16-10/h2,4,6H,3,5H2,1H3,(H2,13,14).
What are the key properties of 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 739121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).