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

C18H23ClN2O2S — CID 13239791

IUPAC(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1CCC(NC(=O)N2C(=O)S[C@H](c3ccc(Cl)cc3)[C@H]2C)CC1
InChIInChI=1S/C18H23ClN2O2S/c1-11-3-9-15(10-4-11)20-17(22)21-12(2)16(24-18(21)23)13-5-7-14(19)8-6-13/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,20,22)/t11?,12-,15?,16+/m1/s1
InChIKeyPVPBRSPWSVLWNR-OXOOOYADSA-N
MW366.91 g/mol
LogP5.23
Rot. Bonds2

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

(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 13239791) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID13239791
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1CCC(NC(=O)N2C(=O)S[C@H](c3ccc(Cl)cc3)[C@H]2C)CC1
InChIInChI=1S/C18H23ClN2O2S/c1-11-3-9-15(10-4-11)20-17(22)21-12(2)16(24-18(21)23)13-5-7-14(19)8-6-13/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,20,22)/t11?,12-,15?,16+/m1/s1
InChIKeyPVPBRSPWSVLWNR-OXOOOYADSA-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'}

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

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Related Compounds

Hexythiazox
CID 13218777
(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 73673
trans-5-(4-Chlorophenyl)-4-methylthiazolidin-2-one
CID 13092656
Hexythiazox metabolite PT-1-2
CID 85547979
Hexythiazox metabolite PT-1-5
CID 139594434
hexythiazox TP1
CID 139595171
Hexythiazox metabolite PT-1-8
CID 139596603
Hexythiazox metabolite PT-1-4
CID 139598123
(4R,5R)-5-(4-Chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
CID 13092659
(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177861
5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 4560140
hexythiazox TP2
CID 155884401

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide (CID 13239791) is (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide is CC1CCC(NC(=O)N2C(=O)S[C@H](c3ccc(Cl)cc3)[C@H]2C)CC1.
What is the InChIKey of (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is PVPBRSPWSVLWNR-OXOOOYADSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-11-3-9-15(10-4-11)20-17(22)21-12(2)16(24-18(21)23)13-5-7-14(19)8-6-13/h5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,20,22)/t11?,12-,15?,16+/m1/s1.
What are the key properties of (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-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 (4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 13239791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).