3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

C17H19N3O2S — CID 126840631

IUPAC3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1CCC(Cc2ccccc2)(C(=O)NCc2nccs2)C1=O
InChIInChI=1S/C17H19N3O2S/c1-20-9-7-17(16(20)22,11-13-5-3-2-4-6-13)15(21)19-12-14-18-8-10-23-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,21)
InChIKeyDORYBQGNSQBAMI-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.85
Rot. Bonds5

About 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 126840631) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID126840631
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1CCC(Cc2ccccc2)(C(=O)NCc2nccs2)C1=O
InChIInChI=1S/C17H19N3O2S/c1-20-9-7-17(16(20)22,11-13-5-3-2-4-6-13)15(21)19-12-14-18-8-10-23-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,21)
InChIKeyDORYBQGNSQBAMI-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(4-hydroxybutyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 126840633
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 99823025
tert-butyl 3-benzyl-1-methyl-2-oxopyrrolidine-3-carboxylate
CID 142723655
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
CID 146131397
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (CID 126840631) is 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is CN1CCC(Cc2ccccc2)(C(=O)NCc2nccs2)C1=O.
What is the InChIKey of 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DORYBQGNSQBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-20-9-7-17(16(20)22,11-13-5-3-2-4-6-13)15(21)19-12-14-18-8-10-23-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126840631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).