5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

C18H23ClN2O2S — CID 142139775

IUPAC5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1C(C2=CC=C(Cl)C=CC2)SC(=O)N1C(=O)NC1CCCCC1
InChIInChI=1S/C18H23ClN2O2S/c1-12-16(13-6-5-7-14(19)11-10-13)24-18(23)21(12)17(22)20-15-8-3-2-4-9-15/h5,7,10-12,15-16H,2-4,6,8-9H2,1H3,(H,20,22)
InChIKeyNBOMVAIKDZVEGC-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.96
Rot. Bonds2

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

5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 142139775) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID142139775
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1C(C2=CC=C(Cl)C=CC2)SC(=O)N1C(=O)NC1CCCCC1
InChIInChI=1S/C18H23ClN2O2S/c1-12-16(13-6-5-7-14(19)11-10-13)24-18(23)21(12)17(22)20-15-8-3-2-4-9-15/h5,7,10-12,15-16H,2-4,6,8-9H2,1H3,(H,20,22)
InChIKeyNBOMVAIKDZVEGC-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride
CID 67450795
N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13284628
(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 70513523
(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4,5-dimethyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 102062642
(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
CID 68700163
N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
CID 177243814
N-cyclohexyl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 11066603
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cyclohexyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 114500022
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (CID 142139775) is 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is CC1C(C2=CC=C(Cl)C=CC2)SC(=O)N1C(=O)NC1CCCCC1.
What is the InChIKey of 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is NBOMVAIKDZVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-12-16(13-6-5-7-14(19)11-10-13)24-18(23)21(12)17(22)20-15-8-3-2-4-9-15/h5,7,10-12,15-16H,2-4,6,8-9H2,1H3,(H,20,22).
What are the key properties of 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 366.91 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 142139775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).