N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C14H24N6S — CID 105160846

IUPACN-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1snnc1CC
InChIInChI=1S/C14H24N6S/c1-5-11-14(21-19-18-11)12(15-6-2)7-13-16-9-17-20(13)8-10(3)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyQUHQKTSCXIIVQQ-UHFFFAOYSA-N
MW308.46 g/mol
LogP2.24
Rot. Bonds8

About N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105160846) has the molecular formula C14H24N6S and a molecular weight of 308.46 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105160846
Molecular FormulaC14H24N6S
Molecular Weight308.46 g/mol
Exact Mass308.18
IUPAC NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1snnc1CC
InChIInChI=1S/C14H24N6S/c1-5-11-14(21-19-18-11)12(15-6-2)7-13-16-9-17-20(13)8-10(3)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyQUHQKTSCXIIVQQ-UHFFFAOYSA-N
XLogP2.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160788
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(thiadiazol-4-yl)ethanamine
CID 105160728
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
CID 105110575
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105161863
2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105139611
N-ethyl-4-(2-methoxyethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 102928376
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003199
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 105160846) is N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CCNC(Cc1ncnn1CC(C)C)c1snnc1CC.
What is the InChIKey of N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is QUHQKTSCXIIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6S/c1-5-11-14(21-19-18-11)12(15-6-2)7-13-16-9-17-20(13)8-10(3)4/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 308.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105160846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).