4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide

C24H24N4O3S — CID 41273695

IUPAC4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)CC2=O)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-8-10-17(11-9-15)13-28-14-19(12-20(28)29)22(30)26-27-23(31)21-16(2)25-24(32-21)18-6-4-3-5-7-18/h3-11,19H,12-14H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1
InChIKeyARFPZUKJIVLYOU-IBGZPJMESA-N
MW448.55 g/mol
LogP3.24
Rot. Bonds5

About 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 41273695) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID41273695
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)CC2=O)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-8-10-17(11-9-15)13-28-14-19(12-20(28)29)22(30)26-27-23(31)21-16(2)25-24(32-21)18-6-4-3-5-7-18/h3-11,19H,12-14H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1
InChIKeyARFPZUKJIVLYOU-IBGZPJMESA-N
XLogP3.24
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27688936
1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17476806
(3S)-N'-(4-fluorobenzoyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbohydrazide
CID 2460845
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
1-benzyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 108761239
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119165639
N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17409393
(3R)-1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94068392
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
(3R)-1-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2089479
2-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 41273695) is 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)CC2=O)cc1.
What is the InChIKey of 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ARFPZUKJIVLYOU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-8-10-17(11-9-15)13-28-14-19(12-20(28)29)22(30)26-27-23(31)21-16(2)25-24(32-21)18-6-4-3-5-7-18/h3-11,19H,12-14H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1.
What are the key properties of 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 448.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 41273695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).