N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C20H24N4O3S2 — CID 55429757

IUPACN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-14(25)21-9-2-3-15-4-6-16(7-5-15)17-13-29-19(22-17)23-18(26)8-10-24-11-12-28-20(24)27/h4-7,13H,2-3,8-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyBLZILFBBKXNZJS-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.38
Rot. Bonds9

About N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 55429757) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID55429757
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-14(25)21-9-2-3-15-4-6-16(7-5-15)17-13-29-19(22-17)23-18(26)8-10-24-11-12-28-20(24)27/h4-7,13H,2-3,8-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyBLZILFBBKXNZJS-UHFFFAOYSA-N
XLogP3.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide 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-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863437
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55763498
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29499487
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-amino-3-methoxybutanamide;hydrochloride
CID 120587262
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 36531555
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55495057
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27993119

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 55429757) is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1.
What is the InChIKey of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BLZILFBBKXNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-14(25)21-9-2-3-15-4-6-16(7-5-15)17-13-29-19(22-17)23-18(26)8-10-24-11-12-28-20(24)27/h4-7,13H,2-3,8-12H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 55429757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).