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

C14H18N2OS — CID 116868171

IUPAC[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1nc(C)c(CN)s1
InChIInChI=1S/C14H18N2OS/c1-8-5-9(2)13(11(6-8)17-4)14-16-10(3)12(7-15)18-14/h5-6H,7,15H2,1-4H3
InChIKeyCGWDSABGBYTRGK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.20
Rot. Bonds3

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

[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 116868171) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID116868171
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1nc(C)c(CN)s1
InChIInChI=1S/C14H18N2OS/c1-8-5-9(2)13(11(6-8)17-4)14-16-10(3)12(7-15)18-14/h5-6H,7,15H2,1-4H3
InChIKeyCGWDSABGBYTRGK-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82426978
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
CID 106681068
5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106681518
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526
3-(2-methoxy-4,6-dimethylphenyl)-N,5,6-trimethylpyrazin-2-amine
CID 106681508
2-(4-methoxy-2,3,6-trimethylphenyl)-4,5-dimethyl-1,3-thiazole
CID 116887692
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 116868171) is [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is COc1cc(C)cc(C)c1-c1nc(C)c(CN)s1.
What is the InChIKey of [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CGWDSABGBYTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8-5-9(2)13(11(6-8)17-4)14-16-10(3)12(7-15)18-14/h5-6H,7,15H2,1-4H3.
What are the key properties of [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116868171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).