1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione

C24H23N3O4S — CID 45354300

IUPAC1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2SCC1c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-21(14-25-22(29)23(30)26(24(25)31)17-10-4-5-11-17)27-18-12-6-7-13-20(18)32-15-19(27)16-8-2-1-3-9-16/h1-3,6-9,12-13,17,19H,4-5,10-11,14-15H2
InChIKeyQIDSLLBLIABCAW-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.60
Rot. Bonds4

About 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 45354300) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID45354300
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2SCC1c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-21(14-25-22(29)23(30)26(24(25)31)17-10-4-5-11-17)27-18-12-6-7-13-20(18)32-15-19(27)16-8-2-1-3-9-16/h1-3,6-9,12-13,17,19H,4-5,10-11,14-15H2
InChIKeyQIDSLLBLIABCAW-UHFFFAOYSA-N
XLogP3.60
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione (CID 45354300) is 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2SCC1c1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is QIDSLLBLIABCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-21(14-25-22(29)23(30)26(24(25)31)17-10-4-5-11-17)27-18-12-6-7-13-20(18)32-15-19(27)16-8-2-1-3-9-16/h1-3,6-9,12-13,17,19H,4-5,10-11,14-15H2.
What are the key properties of 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 449.53 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 45354300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).