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

C12H17N3O2S — CID 49355878

IUPAC1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCc2nccs2)CC1=O
InChIInChI=1S/C12H17N3O2S/c1-2-15-8-9(7-11(15)16)12(17)14-4-3-10-13-5-6-18-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyRVWXIPZXVIAMGS-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.67
Rot. Bonds5

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

1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 49355878) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID49355878
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCc2nccs2)CC1=O
InChIInChI=1S/C12H17N3O2S/c1-2-15-8-9(7-11(15)16)12(17)14-4-3-10-13-5-6-18-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyRVWXIPZXVIAMGS-UHFFFAOYSA-N
XLogP0.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]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

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(2-(thiazol-2-yl)ethyl)propanamide
CID 71708566
N-methyl thiazol-2-ylacetamide
CID 11073663
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710768
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720446
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64481722
N-[1-(1,3-thiazol-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64487465
N-[2-(1,3-thiazol-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105910986
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105937895
N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110739190
3-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 145895195

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 49355878) is 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCc2nccs2)CC1=O.
What is the InChIKey of 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RVWXIPZXVIAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-15-8-9(7-11(15)16)12(17)14-4-3-10-13-5-6-18-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 49355878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).