2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

C14H16N2O2S — CID 4953314

IUPAC2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-11-4-6-12(7-5-11)18-10(2)13(17)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16,17)
InChIKeyRWXWKJUFFYWILF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4953314) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4953314
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-11-4-6-12(7-5-11)18-10(2)13(17)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16,17)
InChIKeyRWXWKJUFFYWILF-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 4953314) is 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is CCc1ccc(OC(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RWXWKJUFFYWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-11-4-6-12(7-5-11)18-10(2)13(17)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4953314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).