N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

C15H21N3OS — CID 105118074

IUPACN-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1snnc1C
InChIInChI=1S/C15H21N3OS/c1-5-16-13(15-11(3)17-18-20-15)9-12-8-10(2)6-7-14(12)19-4/h6-8,13,16H,5,9H2,1-4H3
InChIKeyQTEMVNHGNYVPHD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105118074) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105118074
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1snnc1C
InChIInChI=1S/C15H21N3OS/c1-5-16-13(15-11(3)17-18-20-15)9-12-8-10(2)6-7-14(12)19-4/h6-8,13,16H,5,9H2,1-4H3
InChIKeyQTEMVNHGNYVPHD-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
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
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826666
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105118074) is N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1cc(C)ccc1OC)c1snnc1C.
What is the InChIKey of N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is QTEMVNHGNYVPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-16-13(15-11(3)17-18-20-15)9-12-8-10(2)6-7-14(12)19-4/h6-8,13,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105118074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).