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

C16H20N2O2S — CID 108737351

IUPAC3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCc1ccc(OCCC(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-4-6-15(7-5-13)20-9-8-16(19)17-10-14-11-21-12(2)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyFGYWIINIIFXWIY-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.10
Rot. Bonds7

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

3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108737351) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108737351
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCc1ccc(OCCC(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-4-6-15(7-5-13)20-9-8-16(19)17-10-14-11-21-12(2)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyFGYWIINIIFXWIY-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61281880
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 108737351) is 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is CCc1ccc(OCCC(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is FGYWIINIIFXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-4-6-15(7-5-13)20-9-8-16(19)17-10-14-11-21-12(2)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 304.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108737351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).