(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

C18H14N2O5S — CID 6513133

IUPAC(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C18H14N2O5S/c1-2-25-15-8-6-13(7-9-15)19-17(21)16(26-18(19)22)11-12-4-3-5-14(10-12)20(23)24/h3-11H,2H2,1H3/b16-11-
InChIKeyRDBPXOQHPSXKFV-WJDWOHSUSA-N
MW370.39 g/mol
LogP4.23
Rot. Bonds5

About (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6513133) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6513133
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C18H14N2O5S/c1-2-25-15-8-6-13(7-9-15)19-17(21)16(26-18(19)22)11-12-4-3-5-14(10-12)20(23)24/h3-11H,2H2,1H3/b16-11-
InChIKeyRDBPXOQHPSXKFV-WJDWOHSUSA-N
XLogP4.23
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(E)-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27415629
N-(4-ethoxyphenyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124666053
(5E)-5-[(3-ethoxyphenyl)methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126336879
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-3-(2-ethylphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836954
(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16797927
(5Z)-3-(4-ethoxyphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839726
[2-ethoxy-4-[(Z)-[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate
CID 56727907
3-(4-methylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377002
3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2867317
3-(4-ethoxyphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4283987
(5E)-5-[(3-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96874665

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6513133) is (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RDBPXOQHPSXKFV-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H14N2O5S/c1-2-25-15-8-6-13(7-9-15)19-17(21)16(26-18(19)22)11-12-4-3-5-14(10-12)20(23)24/h3-11H,2H2,1H3/b16-11-.
What are the key properties of (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 370.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6513133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).