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

C18H11Cl2NO3S — CID 6448827

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl2NO3S/c19-13-7-5-11(6-8-13)15(22)10-21-17(23)16(25-18(21)24)9-12-3-1-2-4-14(12)20/h1-9H,10H2/b16-9-
InChIKeyATOSUXRGBJUQKS-SXGWCWSVSA-N
MW392.26 g/mol
LogP4.91
Rot. Bonds4

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

(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 6448827) has the molecular formula C18H11Cl2NO3S and a molecular weight of 392.26 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
PubChem CID6448827
Molecular FormulaC18H11Cl2NO3S
Molecular Weight392.26 g/mol
Exact Mass390.98
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl2NO3S/c19-13-7-5-11(6-8-13)15(22)10-21-17(23)16(25-18(21)24)9-12-3-1-2-4-14(12)20/h1-9H,10H2/b16-9-
InChIKeyATOSUXRGBJUQKS-SXGWCWSVSA-N
XLogP4.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.91
H-Bond Donors ≤ 50
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-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (CID 6448827) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ATOSUXRGBJUQKS-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H11Cl2NO3S/c19-13-7-5-11(6-8-13)15(22)10-21-17(23)16(25-18(21)24)9-12-3-1-2-4-14(12)20/h1-9H,10H2/b16-9-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 392.26 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).