2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine

C12H14N4OS — CID 82167442

IUPAC2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCCOc1ccc2c(c1)sc1nnc(CCN)n12
InChIInChI=1S/C12H14N4OS/c1-2-17-8-3-4-9-10(7-8)18-12-15-14-11(5-6-13)16(9)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCJWGTOBLJQJSPX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.84
Rot. Bonds4

About 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine

2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine (PubChem CID 82167442) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
PubChem CID82167442
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCCOc1ccc2c(c1)sc1nnc(CCN)n12
InChIInChI=1S/C12H14N4OS/c1-2-17-8-3-4-9-10(7-8)18-12-15-14-11(5-6-13)16(9)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCJWGTOBLJQJSPX-UHFFFAOYSA-N
XLogP1.84
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167428
5-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167368
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 12720089
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
3-[2-(4-ethoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39435547
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine?
The IUPAC name of 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine (CID 82167442) is 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine?
The canonical SMILES for 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine is CCOc1ccc2c(c1)sc1nnc(CCN)n12.
What is the InChIKey of 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine?
The InChIKey is CJWGTOBLJQJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-17-8-3-4-9-10(7-8)18-12-15-14-11(5-6-13)16(9)12/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine?
2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine has a molecular weight of 262.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine is sourced from PubChem (CID 82167442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).