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

C17H21N3O2S — CID 9488591

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O2S/c1-13-12-23-17(22)20(13)11-16(21)18-15-7-8-19(10-15)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyKELOACLUZWTPGA-OAHLLOKOSA-N
MW331.44 g/mol
LogP1.61
Rot. Bonds5

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

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 9488591) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID9488591
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O2S/c1-13-12-23-17(22)20(13)11-16(21)18-15-7-8-19(10-15)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyKELOACLUZWTPGA-OAHLLOKOSA-N
XLogP1.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18156454
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CID 93027730
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
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N-(1-benzylpyrrolidin-3-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
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N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 41194119
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
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N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
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N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869172

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 9488591) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is KELOACLUZWTPGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-12-23-17(22)20(13)11-16(21)18-15-7-8-19(10-15)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 9488591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).