ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C24H28F2N2O5S — CID 6223818

IUPACethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NC1CCCCC1C
InChIInChI=1S/C24H28F2N2O5S/c1-3-32-22(30)13-21-28(14-20(29)27-18-7-5-4-6-15(18)2)23(31)19(34-21)12-16-8-10-17(11-9-16)33-24(25)26/h8-13,15,18,24H,3-7,14H2,1-2H3,(H,27,29)/b19-12-,21-13-
InChIKeySUHSEVVHBSFSMO-FEQHTUGKSA-N
MW494.56 g/mol
LogP2.38
Rot. Bonds8

About ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6223818) has the molecular formula C24H28F2N2O5S and a molecular weight of 494.56 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID6223818
Molecular FormulaC24H28F2N2O5S
Molecular Weight494.56 g/mol
Exact Mass494.17
IUPAC Nameethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NC1CCCCC1C
InChIInChI=1S/C24H28F2N2O5S/c1-3-32-22(30)13-21-28(14-20(29)27-18-7-5-4-6-15(18)2)23(31)19(34-21)12-16-8-10-17(11-9-16)33-24(25)26/h8-13,15,18,24H,3-7,14H2,1-2H3,(H,27,29)/b19-12-,21-13-
InChIKeySUHSEVVHBSFSMO-FEQHTUGKSA-N
XLogP2.38
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]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 (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 6389517
ethyl (2Z)-2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 26918149
ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 3474127
ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 4875547
ethyl (2Z)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 2530329
ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2449468
ethyl (2Z)-2-[(5Z)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 7041779
ethyl (2Z)-2-[(5Z)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 2530554
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3610770
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 4779643
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2551173
ethyl (2E)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2530675

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 6223818) is ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NC1CCCCC1C.
What is the InChIKey of ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is SUHSEVVHBSFSMO-FEQHTUGKSA-N. The full InChI is InChI=1S/C24H28F2N2O5S/c1-3-32-22(30)13-21-28(14-20(29)27-18-7-5-4-6-15(18)2)23(31)19(34-21)12-16-8-10-17(11-9-16)33-24(25)26/h8-13,15,18,24H,3-7,14H2,1-2H3,(H,27,29)/b19-12-,21-13-.
What are the key properties of ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 494.56 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6223818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).