N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide

C18H16BrFN2O2S — CID 43062808

IUPACN-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C18H16BrFN2O2S/c19-13-6-7-15(20)14(8-13)18(24)22-11-25-10-16(22)17(23)21-9-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,21,23)
InChIKeySEQLGQONTVSBOE-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.42
Rot. Bonds4

About N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide

N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43062808) has the molecular formula C18H16BrFN2O2S and a molecular weight of 423.31 g/mol. Its IUPAC name is N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43062808
Molecular FormulaC18H16BrFN2O2S
Molecular Weight423.31 g/mol
Exact Mass422.01
IUPAC NameN-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C18H16BrFN2O2S/c19-13-6-7-15(20)14(8-13)18(24)22-11-25-10-16(22)17(23)21-9-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,21,23)
InChIKeySEQLGQONTVSBOE-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide 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 N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide (CID 43062808) is N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)C1CSCN1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SEQLGQONTVSBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2S/c19-13-6-7-15(20)14(8-13)18(24)22-11-25-10-16(22)17(23)21-9-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,21,23).
What are the key properties of N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-bromo-2-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43062808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).