(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C19H16ClNO4S — CID 1338684

IUPAC(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O
InChIInChI=1S/C19H16ClNO4S/c1-2-25-15-5-3-4-13(17(15)22)10-16-18(23)21(19(24)26-16)11-12-6-8-14(20)9-7-12/h3-10,22H,2,11H2,1H3/b16-10-
InChIKeyOEVFACBZDNEDAW-YBEGLDIGSA-N
MW389.86 g/mol
LogP4.68
Rot. Bonds5

About (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1338684) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1338684
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O
InChIInChI=1S/C19H16ClNO4S/c1-2-25-15-5-3-4-13(17(15)22)10-16-18(23)21(19(24)26-16)11-12-6-8-14(20)9-7-12/h3-10,22H,2,11H2,1H3/b16-10-
InChIKeyOEVFACBZDNEDAW-YBEGLDIGSA-N
XLogP4.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1338684) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O.
What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OEVFACBZDNEDAW-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-2-25-15-5-3-4-13(17(15)22)10-16-18(23)21(19(24)26-16)11-12-6-8-14(20)9-7-12/h3-10,22H,2,11H2,1H3/b16-10-.
What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 389.86 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1338684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).