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

C20H24N2O4S2 — CID 7041779

IUPACethyl (2Z)-2-[(5Z)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H24N2O4S2/c1-3-26-19(24)11-18-22(12-17(23)21-8-5-4-6-14(21)2)20(25)16(28-18)10-15-7-9-27-13-15/h7,9-11,13-14H,3-6,8,12H2,1-2H3/b16-10-,18-11-/t14-/m1/s1
InChIKeyQXPOIDPVYWDVST-UANPXZIKSA-N
MW420.56 g/mol
LogP1.54
Rot. Bonds5

About 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

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 (PubChem CID 7041779) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
PubChem CID7041779
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Nameethyl (2Z)-2-[(5Z)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H24N2O4S2/c1-3-26-19(24)11-18-22(12-17(23)21-8-5-4-6-14(21)2)20(25)16(28-18)10-15-7-9-27-13-15/h7,9-11,13-14H,3-6,8,12H2,1-2H3/b16-10-,18-11-/t14-/m1/s1
InChIKeyQXPOIDPVYWDVST-UANPXZIKSA-N
XLogP1.54
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
ethyl (2Z)-2-[(5E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2452011
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
(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 2489215
ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2461430
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
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
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
ethyl (2Z)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 2530329
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(3-methylbutyl)acetamide
CID 8716215
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
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3610770

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 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?
The InChIKey is QXPOIDPVYWDVST-UANPXZIKSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-3-26-19(24)11-18-22(12-17(23)21-8-5-4-6-14(21)2)20(25)16(28-18)10-15-7-9-27-13-15/h7,9-11,13-14H,3-6,8,12H2,1-2H3/b16-10-,18-11-/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 420.56 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7041779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).