2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide

C22H24N2O5S — CID 126210549

IUPAC2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O
InChIInChI=1S/C22H24N2O5S/c1-5-23(6-2)19(25)13-24-21(26)18(30-22(24)27)12-14-10-11-16(28-3)15-8-7-9-17(29-4)20(14)15/h7-12H,5-6,13H2,1-4H3/b18-12-
InChIKeyFRDUTCNFIZBVDE-PDGQHHTCSA-N
MW428.51 g/mol
LogP3.76
Rot. Bonds7

About 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide

2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide (PubChem CID 126210549) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
PubChem CID126210549
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O
InChIInChI=1S/C22H24N2O5S/c1-5-23(6-2)19(25)13-24-21(26)18(30-22(24)27)12-14-10-11-16(28-3)15-8-7-9-17(29-4)20(14)15/h7-12H,5-6,13H2,1-4H3/b18-12-
InChIKeyFRDUTCNFIZBVDE-PDGQHHTCSA-N
XLogP3.76
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 126219061
ethyl 2-[5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 75338987
N,N-diethyl-2-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126208155
2-[2-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetate
CID 7323920
(5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one
CID 126090282
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126347087
2-[(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126160564
2-[(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 126179066
methyl 2-[4-[(Z)-[3-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 126220620
4-[5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 3452487
(5E)-3-(cyclohexylmethyl)-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126135295
N-(3-chloro-4-methoxyphenyl)-2-[5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3923133

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide (CID 126210549) is 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O.
What is the InChIKey of 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The InChIKey is FRDUTCNFIZBVDE-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-5-23(6-2)19(25)13-24-21(26)18(30-22(24)27)12-14-10-11-16(28-3)15-8-7-9-17(29-4)20(14)15/h7-12H,5-6,13H2,1-4H3/b18-12-.
What are the key properties of 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide has a molecular weight of 428.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 126210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).