[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

C14H18N2OS — CID 82302885

IUPAC[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(C)c(OCc2ncc(CN)s2)c1C
InChIInChI=1S/C14H18N2OS/c1-9-4-5-10(2)14(11(9)3)17-8-13-16-7-12(6-15)18-13/h4-5,7H,6,8,15H2,1-3H3
InChIKeyZYEFXISRHJYFJK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.11
Rot. Bonds4

About [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82302885) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82302885
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(C)c(OCc2ncc(CN)s2)c1C
InChIInChI=1S/C14H18N2OS/c1-9-4-5-10(2)14(11(9)3)17-8-13-16-7-12(6-15)18-13/h4-5,7H,6,8,15H2,1-3H3
InChIKeyZYEFXISRHJYFJK-UHFFFAOYSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139266
[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82423935
O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39377445
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82422966
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82302885) is [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is Cc1ccc(C)c(OCc2ncc(CN)s2)c1C.
What is the InChIKey of [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZYEFXISRHJYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-4-5-10(2)14(11(9)3)17-8-13-16-7-12(6-15)18-13/h4-5,7H,6,8,15H2,1-3H3.
What are the key properties of [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82302885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).