(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C16H13FN2O2S — CID 21208578

IUPAC(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C
InChIInChI=1S/C16H13FN2O2S/c1-18-16-19(2)15(20)14(22-16)9-12-7-8-13(21-12)10-3-5-11(17)6-4-10/h3-9H,1-2H3/b14-9+,18-16-
InChIKeyWVDVSHMKXVUKCK-WZMAMLOKSA-N
MW316.36 g/mol
LogP3.62
Rot. Bonds2

About (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 21208578) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID21208578
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C
InChIInChI=1S/C16H13FN2O2S/c1-18-16-19(2)15(20)14(22-16)9-12-7-8-13(21-12)10-3-5-11(17)6-4-10/h3-9H,1-2H3/b14-9+,18-16-
InChIKeyWVDVSHMKXVUKCK-WZMAMLOKSA-N
XLogP3.62
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
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

5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 131854156
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
3-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2922254
(5Z)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
(5E)-5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142878640
(2E,5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845746
5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1494138
(2S)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 7463949
(5Z)-5-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1202685

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 21208578) is (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C.
What is the InChIKey of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is WVDVSHMKXVUKCK-WZMAMLOKSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-18-16-19(2)15(20)14(22-16)9-12-7-8-13(21-12)10-3-5-11(17)6-4-10/h3-9H,1-2H3/b14-9+,18-16-.
What are the key properties of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 316.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 21208578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).