5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide

C17H19ClN2O3S — CID 139594434

IUPAC5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCC(=O)C1
InChIInChI=1S/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)
InChIKeyBVYIEMMNRXTJDM-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.16
Rot. Bonds2

About 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide

5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 139594434) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
PubChem CID139594434
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCC(=O)C1
InChIInChI=1S/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)
InChIKeyBVYIEMMNRXTJDM-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-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 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide (CID 139594434) is 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide is CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCC(=O)C1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BVYIEMMNRXTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 139594434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).