N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C15H8FN3O2S2 — CID 7110084

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C15H8FN3O2S2/c16-7-1-2-8-12(3-7)22-14(17-8)19-15-18-9-4-10-11(21-6-20-10)5-13(9)23-15/h1-5H,6H2,(H,17,18,19)
InChIKeyIMIGGQYIQJBUQY-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.52
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110084) has the molecular formula C15H8FN3O2S2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110084
Molecular FormulaC15H8FN3O2S2
Molecular Weight345.38 g/mol
Exact Mass345.00
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C15H8FN3O2S2/c16-7-1-2-8-12(3-7)22-14(17-8)19-15-18-9-4-10-11(21-6-20-10)5-13(9)23-15/h1-5H,6H2,(H,17,18,19)
InChIKeyIMIGGQYIQJBUQY-UHFFFAOYSA-N
XLogP4.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][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 N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110084) is N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Fc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is IMIGGQYIQJBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O2S2/c16-7-1-2-8-12(3-7)22-14(17-8)19-15-18-9-4-10-11(21-6-20-10)5-13(9)23-15/h1-5H,6H2,(H,17,18,19).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 345.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).