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

C14H18N2O3S — CID 82440577

IUPAC[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(COc2cccc(OC)c2)sc1CN
InChIInChI=1S/C14H18N2O3S/c1-17-8-12-13(7-15)20-14(16-12)9-19-11-5-3-4-10(6-11)18-2/h3-6H,7-9,15H2,1-2H3
InChIKeyDMWCAQZTAJUMOE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.34
Rot. Bonds7

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

[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82440577) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82440577
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(COc2cccc(OC)c2)sc1CN
InChIInChI=1S/C14H18N2O3S/c1-17-8-12-13(7-15)20-14(16-12)9-19-11-5-3-4-10(6-11)18-2/h3-6H,7-9,15H2,1-2H3
InChIKeyDMWCAQZTAJUMOE-UHFFFAOYSA-N
XLogP2.34
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82440577) is [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is COCc1nc(COc2cccc(OC)c2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is DMWCAQZTAJUMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-17-8-12-13(7-15)20-14(16-12)9-19-11-5-3-4-10(6-11)18-2/h3-6H,7-9,15H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).