1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C15H20N2S — CID 54912825

IUPAC1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2nc(C)cs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-13-5-7-14(8-6-13)12(3)16-9-15-17-11(2)10-18-15/h5-8,10,12,16H,4,9H2,1-3H3
InChIKeyAAPOCMVVAQEVFA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 54912825) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID54912825
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2nc(C)cs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-13-5-7-14(8-6-13)12(3)16-9-15-17-11(2)10-18-15/h5-8,10,12,16H,4,9H2,1-3H3
InChIKeyAAPOCMVVAQEVFA-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
1-(4-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796349
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113260063
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912981
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
CID 54913077

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 54912825) is 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1ccc(C(C)NCc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is AAPOCMVVAQEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-13-5-7-14(8-6-13)12(3)16-9-15-17-11(2)10-18-15/h5-8,10,12,16H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54912825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).