4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide

C15H18N2O2S — CID 47353616

IUPAC4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCCOCCCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-19-9-4-7-14(18)17-13-6-3-5-12(11-13)15-16-8-10-20-15/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,17,18)
InChIKeyAPLFKKFOWNNDQV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.57
Rot. Bonds7

About 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide

4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 47353616) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID47353616
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCCOCCCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-19-9-4-7-14(18)17-13-6-3-5-12(11-13)15-16-8-10-20-15/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,17,18)
InChIKeyAPLFKKFOWNNDQV-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
3-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991737
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 56549043
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
4-ethoxy-N-phenylbutanamide
CID 112728021
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
CID 47228165
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111120618

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (CID 47353616) is 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is CCOCCCC(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is APLFKKFOWNNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-19-9-4-7-14(18)17-13-6-3-5-12(11-13)15-16-8-10-20-15/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,17,18).
What are the key properties of 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 290.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 47353616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).