6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

C9H8N2O2S — CID 771615

IUPAC6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESNc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)
InChIKeyIURPFIBKOPUBIT-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.65
Rot. Bonds

About 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (PubChem CID 771615) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
PubChem CID771615
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESNc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)
InChIKeyIURPFIBKOPUBIT-UHFFFAOYSA-N
XLogP1.65
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydro-[1,4]dioxino[2,3-f][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 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (CID 771615) is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.
What is the SMILES notation for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The canonical SMILES for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The InChIKey is IURPFIBKOPUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11).
What are the key properties of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine has a molecular weight of 208.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is sourced from PubChem (CID 771615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).