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

C16H11N3O3S2 — CID 7110074

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCOc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C16H11N3O3S2/c1-20-8-2-3-9-13(4-8)23-15(17-9)19-16-18-10-5-11-12(22-7-21-11)6-14(10)24-16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyOHRGTVQDBQOSBR-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.39
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110074) has the molecular formula C16H11N3O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110074
Molecular FormulaC16H11N3O3S2
Molecular Weight357.42 g/mol
Exact Mass357.02
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCOc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1
InChIInChI=1S/C16H11N3O3S2/c1-20-8-2-3-9-13(4-8)23-15(17-9)19-16-18-10-5-11-12(22-7-21-11)6-14(10)24-16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyOHRGTVQDBQOSBR-UHFFFAOYSA-N
XLogP4.39
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-methoxy-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

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-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110074) is N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is OHRGTVQDBQOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S2/c1-20-8-2-3-9-13(4-8)23-15(17-9)19-16-18-10-5-11-12(22-7-21-11)6-14(10)24-16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 357.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).