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

C16H11N3O2S2 — CID 43968771

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCc1nc2cc(Nc3nc4cc5c(cc4s3)OCO5)ccc2s1
InChIInChI=1S/C16H11N3O2S2/c1-8-17-10-4-9(2-3-14(10)22-8)18-16-19-11-5-12-13(21-7-20-12)6-15(11)23-16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyZGHFCOCPRDIQSJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.69
Rot. Bonds2

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

N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 43968771) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID43968771
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCc1nc2cc(Nc3nc4cc5c(cc4s3)OCO5)ccc2s1
InChIInChI=1S/C16H11N3O2S2/c1-8-17-10-4-9(2-3-14(10)22-8)18-16-19-11-5-12-13(21-7-20-12)6-15(11)23-16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyZGHFCOCPRDIQSJ-UHFFFAOYSA-N
XLogP4.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methyl-1,3-benzothiazol-5-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

N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306395
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
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)acetamide
CID 5310257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide
CID 16934012
1-(3,5-dimethylphenyl)-3-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)urea
CID 121080957
ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 7110088
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110097
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110096
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzothiazol-2-amine
CID 28832815

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 43968771) is N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Cc1nc2cc(Nc3nc4cc5c(cc4s3)OCO5)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is ZGHFCOCPRDIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c1-8-17-10-4-9(2-3-14(10)22-8)18-16-19-11-5-12-13(21-7-20-12)6-15(11)23-16/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 341.42 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 43968771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).