8-ethoxybenzo[g][1,3]benzothiazol-2-amine

C13H12N2OS — CID 21455590

IUPAC8-ethoxybenzo[g][1,3]benzothiazol-2-amine
SMILESCCOc1ccc2ccc3nc(N)sc3c2c1
InChIInChI=1S/C13H12N2OS/c1-2-16-9-5-3-8-4-6-11-12(10(8)7-9)17-13(14)15-11/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyWMOYCUPLFQSNBP-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.43
Rot. Bonds2

About 8-ethoxybenzo[g][1,3]benzothiazol-2-amine

8-ethoxybenzo[g][1,3]benzothiazol-2-amine (PubChem CID 21455590) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 8-ethoxybenzo[g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name8-ethoxybenzo[g][1,3]benzothiazol-2-amine
PubChem CID21455590
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name8-ethoxybenzo[g][1,3]benzothiazol-2-amine
SMILESCCOc1ccc2ccc3nc(N)sc3c2c1
InChIInChI=1S/C13H12N2OS/c1-2-16-9-5-3-8-4-6-11-12(10(8)7-9)17-13(14)15-11/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyWMOYCUPLFQSNBP-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
2,6-diethoxyanthracene
CID 12651989
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
6-ethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743905
(6-ethoxy-4-methylquinolin-2-yl)hydrazine
CID 82017717
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
(6-ethoxy-2-ethylquinolin-4-yl)hydrazine
CID 62250207
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
1,7-diethoxynaphthalene
CID 13359547
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782

Frequently Asked Questions

What is the IUPAC name of 8-ethoxybenzo[g][1,3]benzothiazol-2-amine?
The IUPAC name of 8-ethoxybenzo[g][1,3]benzothiazol-2-amine (CID 21455590) is 8-ethoxybenzo[g][1,3]benzothiazol-2-amine.
What is the SMILES notation for 8-ethoxybenzo[g][1,3]benzothiazol-2-amine?
The canonical SMILES for 8-ethoxybenzo[g][1,3]benzothiazol-2-amine is CCOc1ccc2ccc3nc(N)sc3c2c1.
What is the InChIKey of 8-ethoxybenzo[g][1,3]benzothiazol-2-amine?
The InChIKey is WMOYCUPLFQSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-16-9-5-3-8-4-6-11-12(10(8)7-9)17-13(14)15-11/h3-7H,2H2,1H3,(H2,14,15).
What are the key properties of 8-ethoxybenzo[g][1,3]benzothiazol-2-amine?
8-ethoxybenzo[g][1,3]benzothiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxybenzo[g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 21455590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).