[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine

C14H18N2OS — CID 82133378

IUPAC[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1cccc(C)c1OCc1nc(C)c(CN)s1
InChIInChI=1S/C14H18N2OS/c1-9-5-4-6-10(2)14(9)17-8-13-16-11(3)12(7-15)18-13/h4-6H,7-8,15H2,1-3H3
InChIKeyKFXSMZLVIQBZAZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.11
Rot. Bonds4

About [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine

[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82133378) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID82133378
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1cccc(C)c1OCc1nc(C)c(CN)s1
InChIInChI=1S/C14H18N2OS/c1-9-5-4-6-10(2)14(9)17-8-13-16-11(3)12(7-15)18-13/h4-6H,7-8,15H2,1-3H3
InChIKeyKFXSMZLVIQBZAZ-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

[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440501
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82428977
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431915
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428979
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 55117423
2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
CID 104630915

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine (CID 82133378) is [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1cccc(C)c1OCc1nc(C)c(CN)s1.
What is the InChIKey of [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KFXSMZLVIQBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-4-6-10(2)14(9)17-8-13-16-11(3)12(7-15)18-13/h4-6H,7-8,15H2,1-3H3.
What are the key properties of [2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-[(2,6-dimethylphenoxy)methyl]-4-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-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82133378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).