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

C14H7ClFNO3S — CID 1225147

IUPAC(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)S1
InChIInChI=1S/C14H7ClFNO3S/c15-9-5-7(1-3-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-
InChIKeyGPQDMFPUIYMMHB-SDQBBNPISA-N
MW323.73 g/mol
LogP4.06
Rot. Bonds2

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

(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1225147) has the molecular formula C14H7ClFNO3S and a molecular weight of 323.73 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1225147
Molecular FormulaC14H7ClFNO3S
Molecular Weight323.73 g/mol
Exact Mass322.98
IUPAC Name(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)S1
InChIInChI=1S/C14H7ClFNO3S/c15-9-5-7(1-3-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-
InChIKeyGPQDMFPUIYMMHB-SDQBBNPISA-N
XLogP4.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.06
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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Related Compounds

(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778143
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25068029
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268563
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2844127
5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3099988
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
CID 59987928
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 1225147) is (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GPQDMFPUIYMMHB-SDQBBNPISA-N. The full InChI is InChI=1S/C14H7ClFNO3S/c15-9-5-7(1-3-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-.
What are the key properties of (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 323.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1225147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).