N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine

C13H21N5S — CID 105160161

IUPACN-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1snnc1C
InChIInChI=1S/C13H21N5S/c1-5-10-7-11(18(4)16-10)8-12(14-6-2)13-9(3)15-17-19-13/h7,12,14H,5-6,8H2,1-4H3
InChIKeyQZFAUHCGVQDUGL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine

N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105160161) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105160161
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1snnc1C
InChIInChI=1S/C13H21N5S/c1-5-10-7-11(18(4)16-10)8-12(14-6-2)13-9(3)15-17-19-13/h7,12,14H,5-6,8H2,1-4H3
InChIKeyQZFAUHCGVQDUGL-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999276
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105160161) is N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1cc(CC)nn1C)c1snnc1C.
What is the InChIKey of N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is QZFAUHCGVQDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-10-7-11(18(4)16-10)8-12(14-6-2)13-9(3)15-17-19-13/h7,12,14H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine?
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105160161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).