2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

C13H21N5S — CID 105114391

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cnn(CC)c1)NC
InChIInChI=1S/C13H21N5S/c1-4-6-11-13(19-17-16-11)12(14-3)7-10-8-15-18(5-2)9-10/h8-9,12,14H,4-7H2,1-3H3
InChIKeyQBWVXUYQDOMNQU-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.21
Rot. Bonds7

About 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105114391) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105114391
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cnn(CC)c1)NC
InChIInChI=1S/C13H21N5S/c1-4-6-11-13(19-17-16-11)12(14-3)7-10-8-15-18(5-2)9-10/h8-9,12,14H,4-7H2,1-3H3
InChIKeyQBWVXUYQDOMNQU-UHFFFAOYSA-N
XLogP2.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105114758
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552
(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105081847
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
CID 62127681
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
[2-(1-ethylpyrazol-4-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105291319
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115822926
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105114391) is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1cnn(CC)c1)NC.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is QBWVXUYQDOMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-6-11-13(19-17-16-11)12(14-3)7-10-8-15-18(5-2)9-10/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105114391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).