ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate

C24H29NO4S — CID 58541276

IUPACethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)Cc2ccc(C)cc2C(=O)C2CCCCC2)n1
InChIInChI=1S/C24H29NO4S/c1-3-29-23(27)13-19-15-30-22(25-19)14-20(26)12-18-10-9-16(2)11-21(18)24(28)17-7-5-4-6-8-17/h9-11,15,17H,3-8,12-14H2,1-2H3
InChIKeyFBFSOWBBIOLXCO-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.67
Rot. Bonds9

About ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate (PubChem CID 58541276) has the molecular formula C24H29NO4S and a molecular weight of 427.57 g/mol. Its IUPAC name is ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
PubChem CID58541276
Molecular FormulaC24H29NO4S
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC Nameethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)Cc2ccc(C)cc2C(=O)C2CCCCC2)n1
InChIInChI=1S/C24H29NO4S/c1-3-29-23(27)13-19-15-30-22(25-19)14-20(26)12-18-10-9-16(2)11-21(18)24(28)17-7-5-4-6-8-17/h9-11,15,17H,3-8,12-14H2,1-2H3
InChIKeyFBFSOWBBIOLXCO-UHFFFAOYSA-N
XLogP4.67
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate 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

ethyl 2-[2-[3-[4-bromo-2-(cyclopentanecarbonyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541545
ethyl 2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541179
2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate
CID 58541389
1-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
CID 58541434
3-[4-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanoic acid
CID 58541413
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propan-2-one
CID 58541150
4-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methylsulfamoyl]benzoic acid
CID 58541301
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
CID 45381899
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate (CID 58541276) is ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CC(=O)Cc2ccc(C)cc2C(=O)C2CCCCC2)n1.
What is the InChIKey of ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is FBFSOWBBIOLXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4S/c1-3-29-23(27)13-19-15-30-22(25-19)14-20(26)12-18-10-9-16(2)11-21(18)24(28)17-7-5-4-6-8-17/h9-11,15,17H,3-8,12-14H2,1-2H3.
What are the key properties of ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 427.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 58541276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).