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

C9H16N2O2S — CID 82441413

IUPAC1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOCc1nc(COC)c(C(C)N)s1
InChIInChI=1S/C9H16N2O2S/c1-6(10)9-7(4-12-2)11-8(14-9)5-13-3/h6H,4-5,10H2,1-3H3
InChIKeyZJCCSHOODDZVNV-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.46
Rot. Bonds5

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

1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82441413) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82441413
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOCc1nc(COC)c(C(C)N)s1
InChIInChI=1S/C9H16N2O2S/c1-6(10)9-7(4-12-2)11-8(14-9)5-13-3/h6H,4-5,10H2,1-3H3
InChIKeyZJCCSHOODDZVNV-UHFFFAOYSA-N
XLogP1.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441447
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
1-[4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441721
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82432080
5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
CID 82430363
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 82441413) is 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is COCc1nc(COC)c(C(C)N)s1.
What is the InChIKey of 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZJCCSHOODDZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(10)9-7(4-12-2)11-8(14-9)5-13-3/h6H,4-5,10H2,1-3H3.
What are the key properties of 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 216.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82441413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).