1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine

C15H20N2OS — CID 82193897

IUPAC1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCc1cccc(OCCc2nc(CNC)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-3-12-5-4-6-14(9-12)18-8-7-15-17-13(10-16-2)11-19-15/h4-6,9,11,16H,3,7-8,10H2,1-2H3
InChIKeyWHYUNQWXAQEODB-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.05
Rot. Bonds7

About 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 82193897) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID82193897
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCc1cccc(OCCc2nc(CNC)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-3-12-5-4-6-14(9-12)18-8-7-15-17-13(10-16-2)11-19-15/h4-6,9,11,16H,3,7-8,10H2,1-2H3
InChIKeyWHYUNQWXAQEODB-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
N-[[2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82516537
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
4-[3-[[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]butanenitrile
CID 119123788
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine (CID 82193897) is 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine is CCc1cccc(OCCc2nc(CNC)cs2)c1.
What is the InChIKey of 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is WHYUNQWXAQEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-12-5-4-6-14(9-12)18-8-7-15-17-13(10-16-2)11-19-15/h4-6,9,11,16H,3,7-8,10H2,1-2H3.
What are the key properties of 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82193897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).