2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide

C24H26N4O4S2 — CID 27688337

IUPAC2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-3-17-6-8-19(9-7-17)24-25-16(2)21(33-24)23(30)27-26-22(29)18-10-12-20(13-11-18)34(31,32)28-14-4-5-15-28/h6-13H,3-5,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyTWUCIOYURHUUKD-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide

2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 27688337) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
PubChem CID27688337
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC Name2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-3-17-6-8-19(9-7-17)24-25-16(2)21(33-24)23(30)27-26-22(29)18-10-12-20(13-11-18)34(31,32)28-14-4-5-15-28/h6-13H,3-5,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyTWUCIOYURHUUKD-UHFFFAOYSA-N
XLogP3.54
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-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

4-methyl-2-phenyl-N'-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 25440191
2-ethyl-4,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469334
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 16562907
ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 26266832
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5159977
2-(4-fluorophenyl)-4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 27668010
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27672714
4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 27668000
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide (CID 27688337) is 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide is CCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is TWUCIOYURHUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-3-17-6-8-19(9-7-17)24-25-16(2)21(33-24)23(30)27-26-22(29)18-10-12-20(13-11-18)34(31,32)28-14-4-5-15-28/h6-13H,3-5,14-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 498.63 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 27688337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).