N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H23N3S — CID 105120968

IUPACN-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1snnc1C
InChIInChI=1S/C16H23N3S/c1-6-17-15(16-13(5)18-19-20-16)9-14-11(3)7-10(2)8-12(14)4/h7-8,15,17H,6,9H2,1-5H3
InChIKeyFTSOBYSJFYKBGF-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 105120968) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID105120968
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cc1c(C)cc(C)cc1C)c1snnc1C
InChIInChI=1S/C16H23N3S/c1-6-17-15(16-13(5)18-19-20-16)9-14-11(3)7-10(2)8-12(14)4/h7-8,15,17H,6,9H2,1-5H3
InChIKeyFTSOBYSJFYKBGF-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105121025
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120883
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 105120968) is N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine is CCNC(Cc1c(C)cc(C)cc1C)c1snnc1C.
What is the InChIKey of N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is FTSOBYSJFYKBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-6-17-15(16-13(5)18-19-20-16)9-14-11(3)7-10(2)8-12(14)4/h7-8,15,17H,6,9H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 105120968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).