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

C13H22N6S — CID 105160788

IUPACN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1snnc1C
InChIInChI=1S/C13H22N6S/c1-5-14-11(13-10(4)17-18-20-13)6-12-15-8-16-19(12)7-9(2)3/h8-9,11,14H,5-7H2,1-4H3
InChIKeyLFTDGSMENMNXSK-UHFFFAOYSA-N
MW294.43 g/mol
LogP1.99
Rot. Bonds7

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

N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105160788) has the molecular formula C13H22N6S and a molecular weight of 294.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105160788
Molecular FormulaC13H22N6S
Molecular Weight294.43 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1snnc1C
InChIInChI=1S/C13H22N6S/c1-5-14-11(13-10(4)17-18-20-13)6-12-15-8-16-19(12)7-9(2)3/h8-9,11,14H,5-7H2,1-4H3
InChIKeyLFTDGSMENMNXSK-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105160846
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-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
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
N-ethyl-4-(2-methoxyethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 102928376
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
CID 104999943
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
CID 105110575
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105160788) is N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1ncnn1CC(C)C)c1snnc1C.
What is the InChIKey of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is LFTDGSMENMNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6S/c1-5-14-11(13-10(4)17-18-20-13)6-12-15-8-16-19(12)7-9(2)3/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine?
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 294.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105160788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).