[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C8H6N2O2S — CID 2049900

IUPAC[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESNc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C8H6N2O2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H2,9,10)
InChIKeyGAIRHYOGMGDIGP-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.61
Rot. Bonds

About [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 2049900) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID2049900
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESNc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C8H6N2O2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H2,9,10)
InChIKeyGAIRHYOGMGDIGP-UHFFFAOYSA-N
XLogP1.61
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 2049900) is [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is GAIRHYOGMGDIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H2,9,10).
What are the key properties of [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 194.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 2049900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).