1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine

C16H22N2O2S — CID 82440458

IUPAC1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccccc1OCc1nc(COC)c(C(C)N)s1
InChIInChI=1S/C16H22N2O2S/c1-4-12-7-5-6-8-14(12)20-10-15-18-13(9-19-3)16(21-15)11(2)17/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyRRGVXDSMLUEADQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.45
Rot. Bonds7

About 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine

1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82440458) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82440458
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccccc1OCc1nc(COC)c(C(C)N)s1
InChIInChI=1S/C16H22N2O2S/c1-4-12-7-5-6-8-14(12)20-10-15-18-13(9-19-3)16(21-15)11(2)17/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyRRGVXDSMLUEADQ-UHFFFAOYSA-N
XLogP3.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492
1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441413
1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441447
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429728
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
CID 82436599
2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82440536
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 82440458) is 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is CCc1ccccc1OCc1nc(COC)c(C(C)N)s1.
What is the InChIKey of 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RRGVXDSMLUEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-12-7-5-6-8-14(12)20-10-15-18-13(9-19-3)16(21-15)11(2)17/h5-8,11H,4,9-10,17H2,1-3H3.
What are the key properties of 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82440458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).