N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide

C17H24ClN3O2S — CID 119642205

IUPACN-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2S/c1-3-17(19,4-2)10-20-15(22)14-9-24-11-21(14)16(23)12-5-7-13(18)8-6-12/h5-8,14H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyOFPGBOYQPUNBSV-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.49
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide

N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119642205) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119642205
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2S/c1-3-17(19,4-2)10-20-15(22)14-9-24-11-21(14)16(23)12-5-7-13(18)8-6-12/h5-8,14H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyOFPGBOYQPUNBSV-UHFFFAOYSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-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-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide (CID 119642205) is N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide is CCC(N)(CC)CNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OFPGBOYQPUNBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-3-17(19,4-2)10-20-15(22)14-9-24-11-21(14)16(23)12-5-7-13(18)8-6-12/h5-8,14H,3-4,9-11,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119642205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).