5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine

C11H12N4S — CID 79739277

IUPAC5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCCc3cccnc32)s1
InChIInChI=1S/C11H12N4S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2,(H2,12,15)
InChIKeyAQKJPPYBYKPYBC-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.98
Rot. Bonds1

About 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine

5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 79739277) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
PubChem CID79739277
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCCc3cccnc32)s1
InChIInChI=1S/C11H12N4S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2,(H2,12,15)
InChIKeyAQKJPPYBYKPYBC-UHFFFAOYSA-N
XLogP1.98
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-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

2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole
CID 79739266
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107615870
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine (CID 79739277) is 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(C2CCCc3cccnc32)s1.
What is the InChIKey of 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AQKJPPYBYKPYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2,(H2,12,15).
What are the key properties of 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine?
5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79739277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).