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

C15H20N2O2S — CID 82440456

IUPAC[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1ccccc1OCc1nc(COC)c(CN)s1
InChIInChI=1S/C15H20N2O2S/c1-3-11-6-4-5-7-13(11)19-10-15-17-12(9-18-2)14(8-16)20-15/h4-7H,3,8-10,16H2,1-2H3
InChIKeyNHHNWHQESHLBML-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.89
Rot. Bonds7

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

[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82440456) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82440456
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1ccccc1OCc1nc(COC)c(CN)s1
InChIInChI=1S/C15H20N2O2S/c1-3-11-6-4-5-7-13(11)19-10-15-17-12(9-18-2)14(8-16)20-15/h4-7H,3,8-10,16H2,1-2H3
InChIKeyNHHNWHQESHLBML-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361600
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
[4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82429108
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 82440456) is [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is CCc1ccccc1OCc1nc(COC)c(CN)s1.
What is the InChIKey of [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is NHHNWHQESHLBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-11-6-4-5-7-13(11)19-10-15-17-12(9-18-2)14(8-16)20-15/h4-7H,3,8-10,16H2,1-2H3.
What are the key properties of [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82440456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).