2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C24H26N6O3S — CID 24952337

IUPAC2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2CCC(=O)N2c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C24H26N6O3S/c1-33-17-4-2-16(3-5-17)20-6-7-22(31)30(20)24-28-19(15-34-24)23(32)27-18-14-26-9-8-21(18)29-12-10-25-11-13-29/h2-5,8-9,14-15,20,25H,6-7,10-13H2,1H3,(H,27,32)
InChIKeyZBSBQRIKMBOYBH-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.08
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24952337) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24952337
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2CCC(=O)N2c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C24H26N6O3S/c1-33-17-4-2-16(3-5-17)20-6-7-22(31)30(20)24-28-19(15-34-24)23(32)27-18-14-26-9-8-21(18)29-12-10-25-11-13-29/h2-5,8-9,14-15,20,25H,6-7,10-13H2,1H3,(H,27,32)
InChIKeyZBSBQRIKMBOYBH-UHFFFAOYSA-N
XLogP3.08
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-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 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24952337) is 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(C2CCC(=O)N2c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZBSBQRIKMBOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-33-17-4-2-16(3-5-17)20-6-7-22(31)30(20)24-28-19(15-34-24)23(32)27-18-14-26-9-8-21(18)29-12-10-25-11-13-29/h2-5,8-9,14-15,20,25H,6-7,10-13H2,1H3,(H,27,32).
What are the key properties of 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).