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

C14H18N4S — CID 79739368

IUPACN-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1C1CCCc2cccnc21
InChIInChI=1S/C14H18N4S/c1-2-8-16-14-13(17-19-18-14)11-7-3-5-10-6-4-9-15-12(10)11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,18)
InChIKeyQQBHXOWHDGNCOY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.22
Rot. Bonds4

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

N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine (PubChem CID 79739368) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
PubChem CID79739368
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1C1CCCc2cccnc21
InChIInChI=1S/C14H18N4S/c1-2-8-16-14-13(17-19-18-14)11-7-3-5-10-6-4-9-15-12(10)11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,18)
InChIKeyQQBHXOWHDGNCOY-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592
N-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824856
N-methyl-5-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 79722748
N-ethyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739278
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
5-methyl-2-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 80974971
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine (CID 79739368) is N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1C1CCCc2cccnc21.
What is the InChIKey of N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine?
The InChIKey is QQBHXOWHDGNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-8-16-14-13(17-19-18-14)11-7-3-5-10-6-4-9-15-12(10)11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,18).
What are the key properties of N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine?
N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 79739368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).