[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C14H18N2OS — CID 82423935

IUPAC[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1cccc(C)c1OCCc1ncc(CN)s1
InChIInChI=1S/C14H18N2OS/c1-10-4-3-5-11(2)14(10)17-7-6-13-16-9-12(8-15)18-13/h3-5,9H,6-8,15H2,1-2H3
InChIKeyZGJNTKHWGBDRGA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.84
Rot. Bonds5

About [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine

[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82423935) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82423935
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1cccc(C)c1OCCc1ncc(CN)s1
InChIInChI=1S/C14H18N2OS/c1-10-4-3-5-11(2)14(10)17-7-6-13-16-9-12(8-15)18-13/h3-5,9H,6-8,15H2,1-2H3
InChIKeyZGJNTKHWGBDRGA-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82302885
2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426840
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516384
5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774580
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82422966
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
1,3-dimethyl-2-propoxybenzene
CID 579040

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 82423935) is [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is Cc1cccc(C)c1OCCc1ncc(CN)s1.
What is the InChIKey of [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZGJNTKHWGBDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-4-3-5-11(2)14(10)17-7-6-13-16-9-12(8-15)18-13/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82423935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).