(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione

C18H16N2O3S — CID 18837360

IUPAC(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c1
InChIInChI=1S/C18H16N2O3S/c1-11(12-5-3-6-13(19)9-12)16-17(21)20(18(22)24-16)14-7-4-8-15(10-14)23-2/h3-10H,19H2,1-2H3/b16-11-
InChIKeyNMDIKSGPBDDRTP-WJDWOHSUSA-N
MW340.40 g/mol
LogP3.91
Rot. Bonds3

About (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837360) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837360
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c1
InChIInChI=1S/C18H16N2O3S/c1-11(12-5-3-6-13(19)9-12)16-17(21)20(18(22)24-16)14-7-4-8-15(10-14)23-2/h3-10H,19H2,1-2H3/b16-11-
InChIKeyNMDIKSGPBDDRTP-WJDWOHSUSA-N
XLogP3.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836794
(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 18840482
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840146
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840962
methyl 2-[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841263
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844074
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18845090
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842220
2-[5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 4515343
2-[(5E)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
CID 7655660
(1R,2S,6R,7R)-4-(3-methoxyphenyl)-10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126378089
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837360) is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1cccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c1.
What is the InChIKey of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is NMDIKSGPBDDRTP-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11(12-5-3-6-13(19)9-12)16-17(21)20(18(22)24-16)14-7-4-8-15(10-14)23-2/h3-10H,19H2,1-2H3/b16-11-.
What are the key properties of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 340.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).