N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide

C14H18N2O2S — CID 108795890

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H18N2O2S/c1-2-11-3-5-12(6-4-11)18-9-7-13(17)16-14-15-8-10-19-14/h3-6H,2,7-10H2,1H3,(H,15,16,17)
InChIKeySJWSDWUYWKPANP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.24
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide (PubChem CID 108795890) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide
PubChem CID108795890
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H18N2O2S/c1-2-11-3-5-12(6-4-11)18-9-7-13(17)16-14-15-8-10-19-14/h3-6H,2,7-10H2,1H3,(H,15,16,17)
InChIKeySJWSDWUYWKPANP-UHFFFAOYSA-N
XLogP2.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 924633
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
methyl 2-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108795775
ethyl 2-[3-(4-ethylphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108807240
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19184081
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279
3-(4-ethylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 108795900

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide (CID 108795890) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide?
The InChIKey is SJWSDWUYWKPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-11-3-5-12(6-4-11)18-9-7-13(17)16-14-15-8-10-19-14/h3-6H,2,7-10H2,1H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide has a molecular weight of 278.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).