(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

C19H17NO4S — CID 34056376

IUPAC(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C19H17NO4S/c1-3-24-15-10-9-13(16(12-15)23-2)11-17-18(21)20(19(22)25-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-11-
InChIKeyRKEPOJCAYJBOAL-BOPFTXTBSA-N
MW355.42 g/mol
LogP4.33
Rot. Bonds5

About (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 34056376) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID34056376
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C19H17NO4S/c1-3-24-15-10-9-13(16(12-15)23-2)11-17-18(21)20(19(22)25-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-11-
InChIKeyRKEPOJCAYJBOAL-BOPFTXTBSA-N
XLogP4.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6200674
(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1344384
3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2867317
5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4982704
(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1348512
5-[(2,4-diethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3311010
(5Z)-3-(3,4-dichlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840878
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18839679
(5Z)-3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840331
(5E)-5-[[2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 50873207
(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6288905

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 34056376) is (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is RKEPOJCAYJBOAL-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-3-24-15-10-9-13(16(12-15)23-2)11-17-18(21)20(19(22)25-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-11-.
What are the key properties of (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 355.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 34056376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).