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

C15H8FN3O2S2 — CID 7110101

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12
InChIInChI=1S/C15H8FN3O2S2/c16-7-2-1-3-11-13(7)18-15(22-11)19-14-17-8-4-9-10(21-6-20-9)5-12(8)23-14/h1-5H,6H2,(H,17,18,19)
InChIKeyJJKHOQBSMMMHLO-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.52
Rot. Bonds2

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110101) has the molecular formula C15H8FN3O2S2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110101
Molecular FormulaC15H8FN3O2S2
Molecular Weight345.38 g/mol
Exact Mass345.00
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12
InChIInChI=1S/C15H8FN3O2S2/c16-7-2-1-3-11-13(7)18-15(22-11)19-14-17-8-4-9-10(21-6-20-9)5-12(8)23-14/h1-5H,6H2,(H,17,18,19)
InChIKeyJJKHOQBSMMMHLO-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-(4-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

Related Compounds

10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
CID 7202928
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7086360
6-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086349
1-[2-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
CID 7189860
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 7202949
4,6-Dioxa-10-thia-12-azatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,11-tetraen-11-amine
CID 2049900
N-1,3-benzodioxol-5-yl-6-methoxy-1,3-benzothiazol-2-amine
CID 3239232
6-Piperidin-1-yl[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3243735
6-(4-Phenylpiperazin-1-yl)[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3245124

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110101) is N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is JJKHOQBSMMMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O2S2/c16-7-2-1-3-11-13(7)18-15(22-11)19-14-17-8-4-9-10(21-6-20-9)5-12(8)23-14/h1-5H,6H2,(H,17,18,19).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(4-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-(4-fluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).