3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine

C13H12N4OS — CID 46839827

IUPAC3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCOc1cc(-c2nsc(N)n2)nc2ccccc12
InChIInChI=1S/C13H12N4OS/c1-2-18-11-7-10(12-16-13(14)19-17-12)15-9-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,16,17)
InChIKeyWRQCBEBXSOGCGT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine

3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 46839827) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID46839827
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCOc1cc(-c2nsc(N)n2)nc2ccccc12
InChIInChI=1S/C13H12N4OS/c1-2-18-11-7-10(12-16-13(14)19-17-12)15-9-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,16,17)
InChIKeyWRQCBEBXSOGCGT-UHFFFAOYSA-N
XLogP2.73
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine (CID 46839827) is 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine is CCOc1cc(-c2nsc(N)n2)nc2ccccc12.
What is the InChIKey of 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WRQCBEBXSOGCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-18-11-7-10(12-16-13(14)19-17-12)15-9-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,16,17).
What are the key properties of 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 272.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 46839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).