(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

C23H24N2O5S — CID 126219061

IUPAC(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2c(OC)cccc12
InChIInChI=1S/C23H24N2O5S/c1-29-17-10-9-15(21-16(17)7-6-8-18(21)30-2)13-19-22(27)25(23(28)31-19)14-20(26)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3/b19-13-
InChIKeyRCZAQEOXALQYDQ-UYRXBGFRSA-N
MW440.52 g/mol
LogP3.91
Rot. Bonds5

About (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126219061) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID126219061
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2c(OC)cccc12
InChIInChI=1S/C23H24N2O5S/c1-29-17-10-9-15(21-16(17)7-6-8-18(21)30-2)13-19-22(27)25(23(28)31-19)14-20(26)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3/b19-13-
InChIKeyRCZAQEOXALQYDQ-UYRXBGFRSA-N
XLogP3.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.91
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)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 19256116
2-[2-[(E)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 124643082
2-[(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 126210549
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 1346406
(5Z)-5-[(5-chloro-2,4-dimethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 126215225
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-chloro-2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126224125
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3897194
5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 4553977
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4573015
methyl 2-[3-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
CID 3895925
(5Z)-5-[(2-methylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 19256104
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3600007

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (CID 126219061) is (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2c(OC)cccc12.
What is the InChIKey of (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RCZAQEOXALQYDQ-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-17-10-9-15(21-16(17)7-6-8-18(21)30-2)13-19-22(27)25(23(28)31-19)14-20(26)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3/b19-13-.
What are the key properties of (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 440.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126219061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).