2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

C17H22N2O3S — CID 86920482

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCOC(C)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-13-12-23-17(21)19(13)11-16(20)18-9-6-10-22-14(2)15-7-4-3-5-8-15/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,20)
InChIKeySHQWORCDTHZERF-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.50
Rot. Bonds8

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 86920482) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID86920482
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCOC(C)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-13-12-23-17(21)19(13)11-16(20)18-9-6-10-22-14(2)15-7-4-3-5-8-15/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,20)
InChIKeySHQWORCDTHZERF-UHFFFAOYSA-N
XLogP2.50
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.50
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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
CID 27667764
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 134048724
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17471212
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
CID 87012839
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
CID 87042035
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86873846

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 86920482) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is Cc1csc(=O)n1CC(=O)NCCCOC(C)c1ccccc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is SHQWORCDTHZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-12-23-17(21)19(13)11-16(20)18-9-6-10-22-14(2)15-7-4-3-5-8-15/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 86920482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).