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

C17H19ClN2O3S — CID 139595171

IUPAC5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)
InChIKeyGXQFXLCWBNCWQL-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.16
Rot. Bonds2

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

5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 139595171) 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-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
PubChem CID139595171
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)
InChIKeyGXQFXLCWBNCWQL-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'}

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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
Hexythiazox metabolite PT-1-2
CID 85547979
Hexythiazox metabolite PT-1-5
CID 139594434
Hexythiazox metabolite PT-1-8
CID 139596603
(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
(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 141314838
(2Sr,7rs)-7-(4-chlorophenyl)-2-methyl-8-propanoyl-2,3,6,7-tetrahydro-5h-[1,3]thiazolo[3,2-c]pyrimidin-5-one
CID 145916068
(4R,5S)-5-(4-Chlorophenyl)-N-(2-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177840981
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3-methylsulfanylpropyl)propanamide
CID 45244160

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide (CID 139595171) is 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide is CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is GXQFXLCWBNCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-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-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 139595171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).