4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide

C25H25N5O3S — CID 122653867

IUPAC4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1
InChIInChI=1S/C25H25N5O3S/c31-22-16-21(28-11-13-29(14-12-28)25(33)24-26-10-15-34-24)17-30(22)20-8-6-18(7-9-20)23(32)27-19-4-2-1-3-5-19/h1-10,15,21H,11-14,16-17H2,(H,27,32)
InChIKeyHPKBSWXMSGTKFP-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.96
Rot. Bonds5

About 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide

4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide (PubChem CID 122653867) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide
PubChem CID122653867
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1
InChIInChI=1S/C25H25N5O3S/c31-22-16-21(28-11-13-29(14-12-28)25(33)24-26-10-15-34-24)17-30(22)20-8-6-18(7-9-20)23(32)27-19-4-2-1-3-5-19/h1-10,15,21H,11-14,16-17H2,(H,27,32)
InChIKeyHPKBSWXMSGTKFP-UHFFFAOYSA-N
XLogP2.96
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217
N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654159
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
1-[3-(oxan-4-ylamino)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659518
1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653895
5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid
CID 122654221
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
CID 122653983
1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
3-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 122654004
1-[3-(morpholin-4-ylmethyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653876

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide?
The IUPAC name of 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide (CID 122653867) is 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide?
The InChIKey is HPKBSWXMSGTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c31-22-16-21(28-11-13-29(14-12-28)25(33)24-26-10-15-34-24)17-30(22)20-8-6-18(7-9-20)23(32)27-19-4-2-1-3-5-19/h1-10,15,21H,11-14,16-17H2,(H,27,32).
What are the key properties of 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide?
4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide has a molecular weight of 475.57 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide is sourced from PubChem (CID 122653867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).