(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H8ClNO3S — CID 126196318

IUPAC(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccoc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO3S/c15-10-1-3-11(4-2-10)16-13(17)12(20-14(16)18)7-9-5-6-19-8-9/h1-8H/b12-7+
InChIKeyVWCASEGJCUIYQZ-KPKJPENVSA-N
MW305.74 g/mol
LogP4.17
Rot. Bonds2

About (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 126196318) has the molecular formula C14H8ClNO3S and a molecular weight of 305.74 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID126196318
Molecular FormulaC14H8ClNO3S
Molecular Weight305.74 g/mol
Exact Mass304.99
IUPAC Name(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccoc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO3S/c15-10-1-3-11(4-2-10)16-13(17)12(20-14(16)18)7-9-5-6-19-8-9/h1-8H/b12-7+
InChIKeyVWCASEGJCUIYQZ-KPKJPENVSA-N
XLogP4.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.17
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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Related Compounds

5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
(5E)-3-(4-chlorophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126194305
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126360800
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
methyl 4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1229001
(5Z)-3-(4-chlorophenyl)-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126331129
methyl 4-[(E)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1229000
(5Z)-3-(4-butylphenyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837134

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 126196318) is (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccoc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is VWCASEGJCUIYQZ-KPKJPENVSA-N. The full InChI is InChI=1S/C14H8ClNO3S/c15-10-1-3-11(4-2-10)16-13(17)12(20-14(16)18)7-9-5-6-19-8-9/h1-8H/b12-7+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 305.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126196318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).