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

C15H9N3O2S2 — CID 7110078

IUPACN-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESc1ccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc2c1
InChIInChI=1S/C15H9N3O2S2/c1-2-4-12-8(3-1)16-14(21-12)18-15-17-9-5-10-11(20-7-19-10)6-13(9)22-15/h1-6H,7H2,(H,16,17,18)
InChIKeyJJXVDMDKAYLNFO-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.38
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110078) has the molecular formula C15H9N3O2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110078
Molecular FormulaC15H9N3O2S2
Molecular Weight327.39 g/mol
Exact Mass327.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESc1ccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc2c1
InChIInChI=1S/C15H9N3O2S2/c1-2-4-12-8(3-1)16-14(21-12)18-15-17-9-5-10-11(20-7-19-10)6-13(9)22-15/h1-6H,7H2,(H,16,17,18)
InChIKeyJJXVDMDKAYLNFO-UHFFFAOYSA-N
XLogP4.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1,3-Dioxolo[4,5-f]benzothiazole, 6-methyl-
CID 699474
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
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1537190
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
4-[2-(Benzo[1,3]dioxol-5-ylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44383520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110078) is N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is c1ccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is JJXVDMDKAYLNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S2/c1-2-4-12-8(3-1)16-14(21-12)18-15-17-9-5-10-11(20-7-19-10)6-13(9)22-15/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 327.39 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).