N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine

C15H12N2O3S — CID 3239232

IUPACN-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-18-10-3-4-11-14(7-10)21-15(17-11)16-9-2-5-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDULCAPQAGNFPDI-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.78
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine

N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 3239232) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID3239232
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-18-10-3-4-11-14(7-10)21-15(17-11)16-9-2-5-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDULCAPQAGNFPDI-UHFFFAOYSA-N
XLogP3.78
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
1,3-Dioxolo[4,5-f]benzothiazole, 6-methyl-
CID 699474
5-Methoxy-2-benzothiazolamine
CID 41055
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-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
1-Benzothiazol-2-yl-3-(4-methoxy-phenyl)-urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
CID 7189882
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
CID 7202928
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine (CID 3239232) is N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is DULCAPQAGNFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-18-10-3-4-11-14(7-10)21-15(17-11)16-9-2-5-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 300.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3239232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).