3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide

C17H22N2O3S — CID 17429509

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCCOc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-14-13-23-17(21)19(14)11-9-16(20)18-10-5-6-12-22-15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20)
InChIKeyFRGXIXHSWLINIS-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.58
Rot. Bonds9

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide (PubChem CID 17429509) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
PubChem CID17429509
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCCOc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-14-13-23-17(21)19(14)11-9-16(20)18-10-5-6-12-22-15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20)
InChIKeyFRGXIXHSWLINIS-UHFFFAOYSA-N
XLogP2.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 27164511
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 29225382
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
CID 27667764
3-(4-chlorophenoxy)propyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55568503
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide (CID 17429509) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide is Cc1csc(=O)n1CCC(=O)NCCCCOc1ccccc1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide?
The InChIKey is FRGXIXHSWLINIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14-13-23-17(21)19(14)11-9-16(20)18-10-5-6-12-22-15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide is sourced from PubChem (CID 17429509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).