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

C17H11ClFNO3S — CID 6521921

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H11ClFNO3S/c18-13-7-11(3-6-14(13)21)8-15-16(22)20(17(23)24-15)9-10-1-4-12(19)5-2-10/h1-8,21H,9H2/b15-8-
InChIKeyRVIMJJJCXFWBTF-NVNXTCNLSA-N
MW363.80 g/mol
LogP4.42
Rot. Bonds3

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

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 6521921) has the molecular formula C17H11ClFNO3S and a molecular weight of 363.80 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID6521921
Molecular FormulaC17H11ClFNO3S
Molecular Weight363.80 g/mol
Exact Mass363.01
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H11ClFNO3S/c18-13-7-11(3-6-14(13)21)8-15-16(22)20(17(23)24-15)9-10-1-4-12(19)5-2-10/h1-8,21H,9H2/b15-8-
InChIKeyRVIMJJJCXFWBTF-NVNXTCNLSA-N
XLogP4.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 6521921) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is RVIMJJJCXFWBTF-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11ClFNO3S/c18-13-7-11(3-6-14(13)21)8-15-16(22)20(17(23)24-15)9-10-1-4-12(19)5-2-10/h1-8,21H,9H2/b15-8-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 363.80 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6521921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).