2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H18N2OS — CID 106793197

IUPAC2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CCN)s1
InChIInChI=1S/C14H18N2OS/c1-9-4-5-11(12(8-9)17-3)14-16-10(2)13(18-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3
InChIKeyAOOKRXUESSRFDU-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds4

About 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 106793197) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID106793197
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CCN)s1
InChIInChI=1S/C14H18N2OS/c1-9-4-5-11(12(8-9)17-3)14-16-10(2)13(18-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3
InChIKeyAOOKRXUESSRFDU-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate
CID 175068424
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79154712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 106793197) is 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COc1cc(C)ccc1-c1nc(C)c(CCN)s1.
What is the InChIKey of 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is AOOKRXUESSRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-4-5-11(12(8-9)17-3)14-16-10(2)13(18-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106793197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).