1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine

C16H22N2OS — CID 82429728

IUPAC1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCOc2ccccc2C)sc1C(C)N
InChIInChI=1S/C16H22N2OS/c1-4-13-16(12(3)17)20-15(18-13)9-10-19-14-8-6-5-7-11(14)2/h5-8,12H,4,9-10,17H2,1-3H3
InChIKeyBUEWHYIMVDKJBP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.66
Rot. Bonds6

About 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine

1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 82429728) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID82429728
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCOc2ccccc2C)sc1C(C)N
InChIInChI=1S/C16H22N2OS/c1-4-13-16(12(3)17)20-15(18-13)9-10-19-14-8-6-5-7-11(14)2/h5-8,12H,4,9-10,17H2,1-3H3
InChIKeyBUEWHYIMVDKJBP-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429727
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82441029
4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 20982880
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine (CID 82429728) is 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine is CCc1nc(CCOc2ccccc2C)sc1C(C)N.
What is the InChIKey of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is BUEWHYIMVDKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-13-16(12(3)17)20-15(18-13)9-10-19-14-8-6-5-7-11(14)2/h5-8,12H,4,9-10,17H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82429728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).