5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C16H17N3O2S — CID 3160085

IUPAC5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(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)
InChIKeyZZOVQFLAYXWPGP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.69
Rot. Bonds4

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

5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 3160085) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID3160085
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(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)
InChIKeyZZOVQFLAYXWPGP-UHFFFAOYSA-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

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Related Compounds

N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N3-(thiazol-2-yl)malonamide
CID 11383671
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2883662
1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
CID 3154415
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 6461926
1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3127670
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N4-(thiazol-2-yl)succinamide
CID 11304200
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 163368434
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-(2-methoxy-ethyl)-N'-thiazol-2-yl-succinamide
CID 647693

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 3160085) is 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)Nc2nccs2)CC1=O.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZZOVQFLAYXWPGP-UHFFFAOYSA-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).
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(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 5-oxo-1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3160085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).