[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C16H22N2OS — CID 82426978

IUPAC[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(C)c(C)c(OCCc2nc(C)c(CN)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10-7-11(2)12(3)14(8-10)19-6-5-16-18-13(4)15(9-17)20-16/h7-8H,5-6,9,17H2,1-4H3
InChIKeyNCAQGGOWAUGEBK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.46
Rot. Bonds5

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

[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82426978) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82426978
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(C)c(C)c(OCCc2nc(C)c(CN)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10-7-11(2)12(3)14(8-10)19-6-5-16-18-13(4)15(9-17)20-16/h7-8H,5-6,9,17H2,1-4H3
InChIKeyNCAQGGOWAUGEBK-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4980903
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441080
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82426991
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
CID 20984389
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
CID 2262255

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 82426978) is [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is Cc1cc(C)c(C)c(OCCc2nc(C)c(CN)s2)c1.
What is the InChIKey of [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is NCAQGGOWAUGEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-7-11(2)12(3)14(8-10)19-6-5-16-18-13(4)15(9-17)20-16/h7-8H,5-6,9,17H2,1-4H3.
What are the key properties of [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82426978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).