N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine

C15H19N5S — CID 105160298

IUPACN-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1nn(CC)c2ccccc12)c1cnns1
InChIInChI=1S/C15H19N5S/c1-3-16-13(15-10-17-19-21-15)9-12-11-7-5-6-8-14(11)20(4-2)18-12/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyZJVAFFBAQBCJRE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine

N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105160298) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105160298
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1nn(CC)c2ccccc12)c1cnns1
InChIInChI=1S/C15H19N5S/c1-3-16-13(15-10-17-19-21-15)9-12-11-7-5-6-8-14(11)20(4-2)18-12/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyZJVAFFBAQBCJRE-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
[2-(1-ethylindazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196321
N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105083153
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
[2-(1-ethylindazol-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105317217
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79095493
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine (CID 105160298) is N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine is CCNC(Cc1nn(CC)c2ccccc12)c1cnns1.
What is the InChIKey of N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is ZJVAFFBAQBCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-16-13(15-10-17-19-21-15)9-12-11-7-5-6-8-14(11)20(4-2)18-12/h5-8,10,13,16H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).