[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C16H22N2O2S — CID 82441080

IUPAC[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCOc2cc(C)cc(C)c2)sc1CN
InChIInChI=1S/C16H22N2O2S/c1-11-6-12(2)8-13(7-11)20-5-4-16-18-14(10-19-3)15(9-17)21-16/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyQLGFYWSFUWXHKV-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.99
Rot. Bonds7

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

[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82441080) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82441080
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCOc2cc(C)cc(C)c2)sc1CN
InChIInChI=1S/C16H22N2O2S/c1-11-6-12(2)8-13(7-11)20-5-4-16-18-14(10-19-3)15(9-17)21-16/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyQLGFYWSFUWXHKV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
[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-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82441701
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
[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-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 82441080) is [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(CCOc2cc(C)cc(C)c2)sc1CN.
What is the InChIKey of [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QLGFYWSFUWXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-6-12(2)8-13(7-11)20-5-4-16-18-14(10-19-3)15(9-17)21-16/h6-8H,4-5,9-10,17H2,1-3H3.
What are the key properties of [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 306.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82441080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).