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

C15H7F2N3O2S2 — CID 7110102

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1cc(F)c2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C15H7F2N3O2S2/c16-6-1-7(17)13-12(2-6)24-15(19-13)20-14-18-8-3-9-10(22-5-21-9)4-11(8)23-14/h1-4H,5H2,(H,18,19,20)
InChIKeyGBNNWGRVDWOCIL-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.66
Rot. Bonds2

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110102) has the molecular formula C15H7F2N3O2S2 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110102
Molecular FormulaC15H7F2N3O2S2
Molecular Weight363.37 g/mol
Exact Mass362.99
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESFc1cc(F)c2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C15H7F2N3O2S2/c16-6-1-7(17)13-12(2-6)24-15(19-13)20-14-18-8-3-9-10(22-5-21-9)4-11(8)23-14/h1-4H,5H2,(H,18,19,20)
InChIKeyGBNNWGRVDWOCIL-UHFFFAOYSA-N
XLogP4.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine with MolForge

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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-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110102) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Fc1cc(F)c2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is GBNNWGRVDWOCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2N3O2S2/c16-6-1-7(17)13-12(2-6)24-15(19-13)20-14-18-8-3-9-10(22-5-21-9)4-11(8)23-14/h1-4H,5H2,(H,18,19,20).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 363.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).