N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C15H21N3S — CID 105121025

IUPACN-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1csnn1
InChIInChI=1S/C15H21N3S/c1-5-16-14(15-9-19-18-17-15)8-13-11(3)6-10(2)7-12(13)4/h6-7,9,14,16H,5,8H2,1-4H3
InChIKeyAZJQTYJSIGOLPE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 105121025) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID105121025
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1csnn1
InChIInChI=1S/C15H21N3S/c1-5-16-14(15-9-19-18-17-15)8-13-11(3)6-10(2)7-12(13)4/h6-7,9,14,16H,5,8H2,1-4H3
InChIKeyAZJQTYJSIGOLPE-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120883
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
N-ethyl-1-(thiadiazol-4-yl)but-3-en-1-amine
CID 105108314
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105146019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 105121025) is N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is CCNC(Cc1c(C)cc(C)cc1C)c1csnn1.
What is the InChIKey of N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is AZJQTYJSIGOLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-16-14(15-9-19-18-17-15)8-13-11(3)6-10(2)7-12(13)4/h6-7,9,14,16H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 105121025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).