(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

C19H15NO5S — CID 18837541

IUPAC(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1N1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H15NO5S/c1-2-23-14-6-4-3-5-13(14)20-18(21)17(26-19(20)22)10-12-7-8-15-16(9-12)25-11-24-15/h3-10H,2,11H2,1H3/b17-10-
InChIKeyGCEJYYVQISFQBM-YVLHZVERSA-N
MW369.40 g/mol
LogP4.05
Rot. Bonds4

About (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837541) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837541
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1N1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H15NO5S/c1-2-23-14-6-4-3-5-13(14)20-18(21)17(26-19(20)22)10-12-7-8-15-16(9-12)25-11-24-15/h3-10H,2,11H2,1H3/b17-10-
InChIKeyGCEJYYVQISFQBM-YVLHZVERSA-N
XLogP4.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.05
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-[(3,4-dihydroxyphenyl)methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837461
(5Z)-3-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837510
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837460
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837520
(5Z)-3-(2-ethoxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837533
2-[2-ethoxy-4-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43863380
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2202203
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2255092
3-[4-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 27418580
3-[4-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413373
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837482
2-[2-ethoxy-4-[(E)-[3-(2-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27421515

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837541) is (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccccc1N1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is GCEJYYVQISFQBM-YVLHZVERSA-N. The full InChI is InChI=1S/C19H15NO5S/c1-2-23-14-6-4-3-5-13(14)20-18(21)17(26-19(20)22)10-12-7-8-15-16(9-12)25-11-24-15/h3-10H,2,11H2,1H3/b17-10-.
What are the key properties of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 369.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).