(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide

C18H23ClN2O2S — CID 102062642

IUPAC(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESC[C@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@]1(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-12-18(2,13-8-10-14(19)11-9-13)24-17(23)21(12)16(22)20-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,20,22)/t12-,18+/m1/s1
InChIKeyKWURGAXXYALBHD-XIKOKIGWSA-N
MW366.91 g/mol
LogP5.15
Rot. Bonds2

About (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide

(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 102062642) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID102062642
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESC[C@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@]1(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-12-18(2,13-8-10-14(19)11-9-13)24-17(23)21(12)16(22)20-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,20,22)/t12-,18+/m1/s1
InChIKeyKWURGAXXYALBHD-XIKOKIGWSA-N
XLogP5.15
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 ≤ 55.15
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 (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide (CID 102062642) is (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide is C[C@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@]1(C)c1ccc(Cl)cc1.
What is the InChIKey of (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is KWURGAXXYALBHD-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-12-18(2,13-8-10-14(19)11-9-13)24-17(23)21(12)16(22)20-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,20,22)/t12-,18+/m1/s1.
What are the key properties of (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide?
(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 366.91 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 102062642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).