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

C9H11N3O2S — CID 110746410

IUPAC5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccs2)N1
InChIInChI=1S/C9H11N3O2S/c13-7-2-1-6(12-7)9(14)11-5-8-10-3-4-15-8/h3-4,6H,1-2,5H2,(H,11,14)(H,12,13)
InChIKeyIUVZBNHQYCYMNF-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.04
Rot. Bonds3

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

5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110746410) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110746410
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccs2)N1
InChIInChI=1S/C9H11N3O2S/c13-7-2-1-6(12-7)9(14)11-5-8-10-3-4-15-8/h3-4,6H,1-2,5H2,(H,11,14)(H,12,13)
InChIKeyIUVZBNHQYCYMNF-UHFFFAOYSA-N
XLogP0.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-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

(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 82237387
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
CID 126836203
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 110746410) is 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCc2nccs2)N1.
What is the InChIKey of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is IUVZBNHQYCYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-7-2-1-6(12-7)9(14)11-5-8-10-3-4-15-8/h3-4,6H,1-2,5H2,(H,11,14)(H,12,13).
What are the key properties of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).