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

C13H16N2OS — CID 28813835

IUPAC[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccccc1OCc1nc(C)c(CN)s1
InChIInChI=1S/C13H16N2OS/c1-9-5-3-4-6-11(9)16-8-13-15-10(2)12(7-14)17-13/h3-6H,7-8,14H2,1-2H3
InChIKeyOZWWKWHOAOAPMM-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.80
Rot. Bonds4

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

[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 28813835) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID28813835
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccccc1OCc1nc(C)c(CN)s1
InChIInChI=1S/C13H16N2OS/c1-9-5-3-4-6-11(9)16-8-13-15-10(2)12(7-14)17-13/h3-6H,7-8,14H2,1-2H3
InChIKeyOZWWKWHOAOAPMM-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82438761
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 55117423
2-[2-[(2-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426152
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
CID 82478497
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 28813835) is [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is Cc1ccccc1OCc1nc(C)c(CN)s1.
What is the InChIKey of [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is OZWWKWHOAOAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-5-3-4-6-11(9)16-8-13-15-10(2)12(7-14)17-13/h3-6H,7-8,14H2,1-2H3.
What are the key properties of [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 28813835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).