N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C15H23N3O2S — CID 50976625

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1csc(CNC(=O)C2CC(=O)N(CC(C)C)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)6-16-15(20)11-5-14(19)18(8-11)7-10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20)
InChIKeyLRWKVXKPHONEJS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50976625) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50976625
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1csc(CNC(=O)C2CC(=O)N(CC(C)C)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)6-16-15(20)11-5-14(19)18(8-11)7-10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20)
InChIKeyLRWKVXKPHONEJS-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50976625) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCc1csc(CNC(=O)C2CC(=O)N(CC(C)C)C2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LRWKVXKPHONEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)6-16-15(20)11-5-14(19)18(8-11)7-10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50976625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).