3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

C24H34ClN3O3S — CID 5174074

IUPAC3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H34ClN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29)
InChIKeyNQKWXKZYWNDJJA-UHFFFAOYSA-N
MW480.07 g/mol
LogP3.64
Rot. Bonds7

About 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 5174074) has the molecular formula C24H34ClN3O3S and a molecular weight of 480.07 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID5174074
Molecular FormulaC24H34ClN3O3S
Molecular Weight480.07 g/mol
Exact Mass479.20
IUPAC Name3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H34ClN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29)
InChIKeyNQKWXKZYWNDJJA-UHFFFAOYSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.07
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-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 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 5174074) is 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NQKWXKZYWNDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29).
What are the key properties of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 480.07 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5174074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).