1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C16H22N2O2S — CID 82441029

IUPAC1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOc2ccccc2C)nc1COC
InChIInChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-9-8-16-18-13(11-19-3)15(21-16)10-17-2/h4-7,17H,8-11H2,1-3H3
InChIKeyPAZQTUOVTKAOLQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.94
Rot. Bonds8

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

1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82441029) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82441029
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOc2ccccc2C)nc1COC
InChIInChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-9-8-16-18-13(11-19-3)15(21-16)10-17-2/h4-7,17H,8-11H2,1-3H3
InChIKeyPAZQTUOVTKAOLQ-UHFFFAOYSA-N
XLogP2.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82441600
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429727
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82441029) is 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOc2ccccc2C)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PAZQTUOVTKAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-9-8-16-18-13(11-19-3)15(21-16)10-17-2/h4-7,17H,8-11H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82441029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).