N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine

C13H12N4S — CID 81428446

IUPACN-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cnc2c(CCNc3ncns3)cccc2c1
InChIInChI=1S/C13H12N4S/c1-3-10-5-2-7-14-12(10)11(4-1)6-8-15-13-16-9-17-18-13/h1-5,7,9H,6,8H2,(H,15,16,17)
InChIKeyKBAGLLURLWTEGF-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

About N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine

N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 81428446) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID81428446
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cnc2c(CCNc3ncns3)cccc2c1
InChIInChI=1S/C13H12N4S/c1-3-10-5-2-7-14-12(10)11(4-1)6-8-15-13-16-9-17-18-13/h1-5,7,9H,6,8H2,(H,15,16,17)
InChIKeyKBAGLLURLWTEGF-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-quinolin-8-ylethanamine
CID 62549686
6-chloro-N-(2-quinolin-8-ylethyl)pyridazin-3-amine
CID 112724616
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
6-chloro-N-(2-quinolin-8-ylethyl)pyrazin-2-amine
CID 47151476
5-methyl-N-(2-quinolin-8-ylethyl)-1H-imidazol-2-amine
CID 106577420
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
N-(2-quinolin-8-ylethyl)thian-4-amine
CID 112727581
2-(aminomethyl)-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81427255
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine (CID 81428446) is N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine is c1cnc2c(CCNc3ncns3)cccc2c1.
What is the InChIKey of N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KBAGLLURLWTEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-3-10-5-2-7-14-12(10)11(4-1)6-8-15-13-16-9-17-18-13/h1-5,7,9H,6,8H2,(H,15,16,17).
What are the key properties of N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 256.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-8-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 81428446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).