N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

C28H25N3O2S — CID 2109025

IUPACN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25N3O2S/c1-18-5-9-20(10-6-18)25-26(21-11-7-19(2)8-12-21)34-28(29-25)30-27(33)22-13-15-23(16-14-22)31-17-3-4-24(31)32/h5-16H,3-4,17H2,1-2H3,(H,29,30,33)
InChIKeyXPXBWUFYBDIWAD-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.47
Rot. Bonds5

About N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 2109025) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID2109025
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25N3O2S/c1-18-5-9-20(10-6-18)25-26(21-11-7-19(2)8-12-21)34-28(29-25)30-27(33)22-13-15-23(16-14-22)31-17-3-4-24(31)32/h5-16H,3-4,17H2,1-2H3,(H,29,30,33)
InChIKeyXPXBWUFYBDIWAD-UHFFFAOYSA-N
XLogP6.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7760528
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 2279983
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
ethyl 3-methyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiophene-2-carboxylate
CID 51146237
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 2109025) is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XPXBWUFYBDIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c1-18-5-9-20(10-6-18)25-26(21-11-7-19(2)8-12-21)34-28(29-25)30-27(33)22-13-15-23(16-14-22)31-17-3-4-24(31)32/h5-16H,3-4,17H2,1-2H3,(H,29,30,33).
What are the key properties of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 467.59 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 2109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).