2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide

C15H18N2O2S — CID 27667764

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12-11-20-15(19)17(12)10-14(18)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18)
InChIKeyWSHDDLUGRQZZAG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 27667764) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
PubChem CID27667764
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12-11-20-15(19)17(12)10-14(18)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18)
InChIKeyWSHDDLUGRQZZAG-UHFFFAOYSA-N
XLogP1.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.97
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

4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17471212
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
CID 87042035
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 41491387
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide (CID 27667764) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide is Cc1csc(=O)n1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is WSHDDLUGRQZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-11-20-15(19)17(12)10-14(18)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 27667764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).