N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

C18H24N2O2S — CID 13284628

IUPACN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1
InChIInChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyHWCLHAAGMSELHY-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.64
Rot. Bonds2

About N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 13284628) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID13284628
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1
InChIInChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyHWCLHAAGMSELHY-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.64
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 N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (CID 13284628) is N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is Cc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1.
What is the InChIKey of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is HWCLHAAGMSELHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 13284628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).