[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

C13H16N2OS — CID 82104670

IUPAC[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1ccccc1OCCc1nc(CN)cs1
InChIInChI=1S/C13H16N2OS/c1-10-4-2-3-5-12(10)16-7-6-13-15-11(8-14)9-17-13/h2-5,9H,6-8,14H2,1H3
InChIKeyWXOYLKIDIWPEEC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.53
Rot. Bonds5

About [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 82104670) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
PubChem CID82104670
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1ccccc1OCCc1nc(CN)cs1
InChIInChI=1S/C13H16N2OS/c1-10-4-2-3-5-12(10)16-7-6-13-15-11(8-14)9-17-13/h2-5,9H,6-8,14H2,1H3
InChIKeyWXOYLKIDIWPEEC-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
3-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]aniline
CID 94760676
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935
3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
CID 82154267
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429728
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (CID 82104670) is [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is Cc1ccccc1OCCc1nc(CN)cs1.
What is the InChIKey of [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is WXOYLKIDIWPEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-4-2-3-5-12(10)16-7-6-13-15-11(8-14)9-17-13/h2-5,9H,6-8,14H2,1H3.
What are the key properties of [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82104670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).