2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine

C17H25N3S — CID 105136164

IUPAC2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
SMILESCCc1nnsc1C(Cc1ccc(C(C)(C)C)cc1)NC
InChIInChI=1S/C17H25N3S/c1-6-14-16(21-20-19-14)15(18-5)11-12-7-9-13(10-8-12)17(2,3)4/h7-10,15,18H,6,11H2,1-5H3
InChIKeyNMGHEUCEQZQWNE-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.90
Rot. Bonds5

About 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine

2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine (PubChem CID 105136164) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
PubChem CID105136164
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
SMILESCCc1nnsc1C(Cc1ccc(C(C)(C)C)cc1)NC
InChIInChI=1S/C17H25N3S/c1-6-14-16(21-20-19-14)15(18-5)11-12-7-9-13(10-8-12)17(2,3)4/h7-10,15,18H,6,11H2,1-5H3
InChIKeyNMGHEUCEQZQWNE-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864
1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 105157988
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552
2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62599855
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105089102
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
[2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105310750
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine (CID 105136164) is 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine is CCc1nnsc1C(Cc1ccc(C(C)(C)C)cc1)NC.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
The InChIKey is NMGHEUCEQZQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-6-14-16(21-20-19-14)15(18-5)11-12-7-9-13(10-8-12)17(2,3)4/h7-10,15,18H,6,11H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine?
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine has a molecular weight of 303.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).