5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

C14H8Cl2N2O2S — CID 171128372

IUPAC5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(19)18-14(17)21-12/h1-6H,(H2,17,18,19)
InChIKeyWTVLGGHLKBJBRE-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.39
Rot. Bonds2

About 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 171128372) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID171128372
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(19)18-14(17)21-12/h1-6H,(H2,17,18,19)
InChIKeyWTVLGGHLKBJBRE-UHFFFAOYSA-N
XLogP4.39
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
(5Z)-5-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376614
2-chloro-5-[[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135635238
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
CID 137349058
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 4556179
2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 173014269
2-(4-chlorophenyl)imino-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487116
(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1379743
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 3491279
(5Z)-3-(4-chlorophenyl)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650369
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241885

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 171128372) is 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S1.
What is the InChIKey of 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is WTVLGGHLKBJBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(19)18-14(17)21-12/h1-6H,(H2,17,18,19).
What are the key properties of 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 339.20 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).