2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine

C15H20N2OS — CID 4223787

IUPAC2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(CC)cc1-c1csc(CCN)n1
InChIInChI=1S/C15H20N2OS/c1-3-11-5-6-14(18-4-2)12(9-11)13-10-19-15(17-13)7-8-16/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyBWZOWPXZNHEFHD-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.27
Rot. Bonds6

About 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 4223787) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID4223787
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(CC)cc1-c1csc(CCN)n1
InChIInChI=1S/C15H20N2OS/c1-3-11-5-6-14(18-4-2)12(9-11)13-10-19-15(17-13)7-8-16/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyBWZOWPXZNHEFHD-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 4223787) is 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc(CC)cc1-c1csc(CCN)n1.
What is the InChIKey of 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BWZOWPXZNHEFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-11-5-6-14(18-4-2)12(9-11)13-10-19-15(17-13)7-8-16/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4223787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).