N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H24N2S — CID 105120883

IUPACN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-6-18-16(17-10-20-14(5)19-17)9-15-12(3)7-11(2)8-13(15)4/h7-8,10,16,18H,6,9H2,1-5H3
InChIKeyNFITUPUXTVPQNE-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 105120883) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID105120883
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-6-18-16(17-10-20-14(5)19-17)9-15-12(3)7-11(2)8-13(15)4/h7-8,10,16,18H,6,9H2,1-5H3
InChIKeyNFITUPUXTVPQNE-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105121025
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
CID 105161160
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 105120883) is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is CCNC(Cc1c(C)cc(C)cc1C)c1csc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is NFITUPUXTVPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-18-16(17-10-20-14(5)19-17)9-15-12(3)7-11(2)8-13(15)4/h7-8,10,16,18H,6,9H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 105120883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).