5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

C13H19N3O2S — CID 110445216

IUPAC5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1csc(CCNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C13H19N3O2S/c1-8(2)10-7-19-12(16-10)5-6-14-13(18)9-3-4-11(17)15-9/h7-9H,3-6H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyYQEOZQXZROVENU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.20
Rot. Bonds5

About 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 110445216) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID110445216
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1csc(CCNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C13H19N3O2S/c1-8(2)10-7-19-12(16-10)5-6-14-13(18)9-3-4-11(17)15-9/h7-9H,3-6H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyYQEOZQXZROVENU-UHFFFAOYSA-N
XLogP1.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 96515887
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
(2R)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]oxane-2-carboxamide
CID 125160061
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499730
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110666431
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 110445216) is 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is CC(C)c1csc(CCNC(=O)C2CCC(=O)N2)n1.
What is the InChIKey of 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YQEOZQXZROVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(2)10-7-19-12(16-10)5-6-14-13(18)9-3-4-11(17)15-9/h7-9H,3-6H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110445216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).