(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione

C18H13ClFNO2S — CID 18840045

IUPAC(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C18H13ClFNO2S/c1-10-6-7-11(2)15(8-10)21-17(22)16(24-18(21)23)9-12-13(19)4-3-5-14(12)20/h3-9H,1-2H3/b16-9-
InChIKeyRXWPJHHLBXHULQ-SXGWCWSVSA-N
MW361.83 g/mol
LogP5.34
Rot. Bonds2

About (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840045) has the molecular formula C18H13ClFNO2S and a molecular weight of 361.83 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840045
Molecular FormulaC18H13ClFNO2S
Molecular Weight361.83 g/mol
Exact Mass361.03
IUPAC Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C18H13ClFNO2S/c1-10-6-7-11(2)15(8-10)21-17(22)16(24-18(21)23)9-12-13(19)4-3-5-14(12)20/h3-9H,1-2H3/b16-9-
InChIKeyRXWPJHHLBXHULQ-SXGWCWSVSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18840045) is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(C)c(N2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RXWPJHHLBXHULQ-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H13ClFNO2S/c1-10-6-7-11(2)15(8-10)21-17(22)16(24-18(21)23)9-12-13(19)4-3-5-14(12)20/h3-9H,1-2H3/b16-9-.
What are the key properties of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 361.83 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).