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

C18H23ClN2O2S — CID 13239786

IUPAC5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)N1C(=O)SC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H23ClN2O2S/c1-11-5-3-4-6-15(11)20-17(22)21-12(2)16(24-18(21)23)13-7-9-14(19)10-8-13/h7-12,15-16H,3-6H2,1-2H3,(H,20,22)
InChIKeyYSKJCAAASYDVRY-UHFFFAOYSA-N
MW366.91 g/mol
LogP5.23
Rot. Bonds2

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

5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 13239786) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID13239786
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)N1C(=O)SC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H23ClN2O2S/c1-11-5-3-4-6-15(11)20-17(22)21-12(2)16(24-18(21)23)13-7-9-14(19)10-8-13/h7-12,15-16H,3-6H2,1-2H3,(H,20,22)
InChIKeyYSKJCAAASYDVRY-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.91
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide (CID 13239786) is 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide is CC1CCCCC1NC(=O)N1C(=O)SC(c2ccc(Cl)cc2)C1C.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is YSKJCAAASYDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-11-5-3-4-6-15(11)20-17(22)21-12(2)16(24-18(21)23)13-7-9-14(19)10-8-13/h7-12,15-16H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 366.91 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 13239786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).