(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C16H17N3O2S — CID 7220338

IUPAC(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C16H17N3O2S/c1-11(12-5-3-2-4-6-12)19-10-13(9-14(19)20)15(21)18-16-17-7-8-22-16/h2-8,11,13H,9-10H2,1H3,(H,17,18,21)/t11-,13+/m0/s1
InChIKeyZZOVQFLAYXWPGP-WCQYABFASA-N
MW315.40 g/mol
LogP2.69
Rot. Bonds4

About (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 7220338) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID7220338
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C16H17N3O2S/c1-11(12-5-3-2-4-6-12)19-10-13(9-14(19)20)15(21)18-16-17-7-8-22-16/h2-8,11,13H,9-10H2,1H3,(H,17,18,21)/t11-,13+/m0/s1
InChIKeyZZOVQFLAYXWPGP-WCQYABFASA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 7394287
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-(2-methoxy-3-pyridinyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 53499094
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
(3R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 94172181
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 3160086
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
2-[3-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152670
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 7220338) is (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nccs2)CC1=O.
What is the InChIKey of (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZZOVQFLAYXWPGP-WCQYABFASA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(12-5-3-2-4-6-12)19-10-13(9-14(19)20)15(21)18-16-17-7-8-22-16/h2-8,11,13H,9-10H2,1H3,(H,17,18,21)/t11-,13+/m0/s1.
What are the key properties of (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7220338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).