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

C17H10FN3O2S2 — CID 1202689

IUPAC(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10FN3O2S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-15(22)21(16(19)25-14)17-20-7-8-24-17/h1-9,19H/b14-9-,19-16-
InChIKeyZPCGXJFNZYLBST-MXOJYHIHSA-N
MW371.42 g/mol
LogP4.60
Rot. Bonds3

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

(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1202689) has the molecular formula C17H10FN3O2S2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1202689
Molecular FormulaC17H10FN3O2S2
Molecular Weight371.42 g/mol
Exact Mass371.02
IUPAC Name(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10FN3O2S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-15(22)21(16(19)25-14)17-20-7-8-24-17/h1-9,19H/b14-9-,19-16-
InChIKeyZPCGXJFNZYLBST-MXOJYHIHSA-N
XLogP4.60
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1202689) is (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is ZPCGXJFNZYLBST-MXOJYHIHSA-N. The full InChI is InChI=1S/C17H10FN3O2S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-15(22)21(16(19)25-14)17-20-7-8-24-17/h1-9,19H/b14-9-,19-16-.
What are the key properties of (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 371.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1202689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).