2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine

C14H18N2OS — CID 3920686

IUPAC2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(CCN)n2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-3-17-11-4-5-12(10(2)8-11)13-9-18-14(16-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyGMWWEHQIUPHPSJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3920686) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3920686
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(CCN)n2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-3-17-11-4-5-12(10(2)8-11)13-9-18-14(16-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyGMWWEHQIUPHPSJ-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine
CID 135234572
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3920686) is 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc(-c2csc(CCN)n2)c(C)c1.
What is the InChIKey of 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is GMWWEHQIUPHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-11-4-5-12(10(2)8-11)13-9-18-14(16-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3920686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).