1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H25N3O3S — CID 18164671

IUPAC1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2nc(C)cs2)C1c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-5-10-23-17(24)11-16(19(25)22-20-21-13(2)12-27-20)18(23)14-6-8-15(26-3)9-7-14/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,21,22,25)
InChIKeyWCIVSDKCZOXVGV-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.79
Rot. Bonds7

About 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18164671) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18164671
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2nc(C)cs2)C1c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-5-10-23-17(24)11-16(19(25)22-20-21-13(2)12-27-20)18(23)14-6-8-15(26-3)9-7-14/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,21,22,25)
InChIKeyWCIVSDKCZOXVGV-UHFFFAOYSA-N
XLogP3.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-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 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 18164671) is 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2nc(C)cs2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WCIVSDKCZOXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-5-10-23-17(24)11-16(19(25)22-20-21-13(2)12-27-20)18(23)14-6-8-15(26-3)9-7-14/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,21,22,25).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18164671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).