(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

C16H9ClFN5O3S — CID 1258938

IUPAC(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1nonc1N
InChIInChI=1S/C16H9ClFN5O3S/c17-9-5-7(1-3-10(9)18)11-4-2-8(25-11)6-12-15(24)23(16(20)27-12)14-13(19)21-26-22-14/h1-6,20H,(H2,19,21)/b12-6-,20-16-
InChIKeyLOVLZFKTOLDDJG-ASCCLTSKSA-N
MW405.80 g/mol
LogP3.76
Rot. Bonds3

About (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 1258938) has the molecular formula C16H9ClFN5O3S and a molecular weight of 405.80 g/mol. Its IUPAC name is (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID1258938
Molecular FormulaC16H9ClFN5O3S
Molecular Weight405.80 g/mol
Exact Mass405.01
IUPAC Name(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1nonc1N
InChIInChI=1S/C16H9ClFN5O3S/c17-9-5-7(1-3-10(9)18)11-4-2-8(25-11)6-12-15(24)23(16(20)27-12)14-13(19)21-26-22-14/h1-6,20H,(H2,19,21)/b12-6-,20-16-
InChIKeyLOVLZFKTOLDDJG-ASCCLTSKSA-N
XLogP3.76
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 4217656
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778143
(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50874194
3-(4-chlorophenyl)-2-imino-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 3905569
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2893104
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1348398
3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 4111598
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1225147
3-(1,3-benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 1360799
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 5292653
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3122920
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2288039

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 1258938) is (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1nonc1N.
What is the InChIKey of (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is LOVLZFKTOLDDJG-ASCCLTSKSA-N. The full InChI is InChI=1S/C16H9ClFN5O3S/c17-9-5-7(1-3-10(9)18)11-4-2-8(25-11)6-12-15(24)23(16(20)27-12)14-13(19)21-26-22-14/h1-6,20H,(H2,19,21)/b12-6-,20-16-.
What are the key properties of (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 405.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1258938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).