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

C26H34N2O6S — CID 26918149

IUPACethyl (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
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C26H34N2O6S/c1-6-34-25(30)14-24-28(15-23(29)27-20-9-7-8-16(2)17(20)3)26(31)22(35-24)12-18-10-11-19(32-4)13-21(18)33-5/h10-14,16-17,20H,6-9,15H2,1-5H3,(H,27,29)/b22-12-,24-14-/t16-,17-,20+/m0/s1
InChIKeyWZUFIDFJMAVUPY-IGAQJUPBSA-N
MW502.63 g/mol
LogP2.04
Rot. Bonds8

About 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

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 (PubChem CID 26918149) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl (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
PubChem CID26918149
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC Nameethyl (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
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C26H34N2O6S/c1-6-34-25(30)14-24-28(15-23(29)27-20-9-7-8-16(2)17(20)3)26(31)22(35-24)12-18-10-11-19(32-4)13-21(18)33-5/h10-14,16-17,20H,6-9,15H2,1-5H3,(H,27,29)/b22-12-,24-14-/t16-,17-,20+/m0/s1
InChIKeyWZUFIDFJMAVUPY-IGAQJUPBSA-N
XLogP2.04
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 3591659
ethyl (2Z)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 2530329
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 11911239
ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 132614064
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 3-[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 11923265
ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 6598282
3-(2,4-dimethoxyphenyl)-N-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 92503999
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 (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 16555607
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is WZUFIDFJMAVUPY-IGAQJUPBSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-6-34-25(30)14-24-28(15-23(29)27-20-9-7-8-16(2)17(20)3)26(31)22(35-24)12-18-10-11-19(32-4)13-21(18)33-5/h10-14,16-17,20H,6-9,15H2,1-5H3,(H,27,29)/b22-12-,24-14-/t16-,17-,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 502.63 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 26918149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).