N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C17H23N3O2S — CID 18156427

IUPACN-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23N3O2S/c21-16(7-9-20-10-11-23-17(20)22)18-15-6-8-19(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)
InChIKeyHWQVIBWRKCLOSQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.94
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18156427) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18156427
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23N3O2S/c21-16(7-9-20-10-11-23-17(20)22)18-15-6-8-19(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)
InChIKeyHWQVIBWRKCLOSQ-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18121098
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55959421
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 46518836
3-(1,3-benzothiazol-2-yl)-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 17440094

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18156427) is N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is HWQVIBWRKCLOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-16(7-9-20-10-11-23-17(20)22)18-15-6-8-19(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18156427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).