2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine

C14H20N4S — CID 105168864

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2snnc2CC)nc1
InChIInChI=1S/C14H20N4S/c1-4-10-6-7-11(16-9-10)8-13(15-3)14-12(5-2)17-18-19-14/h6-7,9,13,15H,4-5,8H2,1-3H3
InChIKeyCEHXPNOOVDOBFA-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.56
Rot. Bonds6

About 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine

2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine (PubChem CID 105168864) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
PubChem CID105168864
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2snnc2CC)nc1
InChIInChI=1S/C14H20N4S/c1-4-10-6-7-11(16-9-10)8-13(15-3)14-12(5-2)17-18-19-14/h6-7,9,13,15H,4-5,8H2,1-3H3
InChIKeyCEHXPNOOVDOBFA-UHFFFAOYSA-N
XLogP2.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 105157988
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748456
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
1-(4-ethylthiadiazol-5-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174064

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine (CID 105168864) is 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine is CCc1ccc(CC(NC)c2snnc2CC)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The InChIKey is CEHXPNOOVDOBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-10-6-7-11(16-9-10)8-13(15-3)14-12(5-2)17-18-19-14/h6-7,9,13,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105168864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).