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

C13H16N2OS — CID 1497789

IUPAC2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(CCN)n2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(15-12)7-8-14/h3-6,9H,2,7-8,14H2,1H3
InChIKeyYIFKIDKVWXTGNY-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.71
Rot. Bonds5

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

2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 1497789) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID1497789
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(CCN)n2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(15-12)7-8-14/h3-6,9H,2,7-8,14H2,1H3
InChIKeyYIFKIDKVWXTGNY-UHFFFAOYSA-N
XLogP2.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542712
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 1497789) is 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc(-c2csc(CCN)n2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is YIFKIDKVWXTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(15-12)7-8-14/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 1497789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).