N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine

C14H18N4S — CID 105164757

IUPACN-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N4S/c1-2-15-14(12-9-19-18-17-12)11-7-3-5-10-6-4-8-16-13(10)11/h4,6,8-9,11,14-15H,2-3,5,7H2,1H3
InChIKeyCWOOPTAHHHYRIA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.70
Rot. Bonds4

About N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine

N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105164757) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105164757
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N4S/c1-2-15-14(12-9-19-18-17-12)11-7-3-5-10-6-4-8-16-13(10)11/h4,6,8-9,11,14-15H,2-3,5,7H2,1H3
InChIKeyCWOOPTAHHHYRIA-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007293
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007315

Frequently Asked Questions

What is the IUPAC name of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine (CID 105164757) is N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)C1CCCc2cccnc21.
What is the InChIKey of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is CWOOPTAHHHYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-15-14(12-9-19-18-17-12)11-7-3-5-10-6-4-8-16-13(10)11/h4,6,8-9,11,14-15H,2-3,5,7H2,1H3.
What are the key properties of N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine?
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105164757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).