N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C16H11FN2O4S — CID 16632035

IUPACN-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O4S/c17-10-3-5-11(6-4-10)18-14(20)9-19-15(21)13(24-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20)/b13-8-
InChIKeyWTULQGLBXYUYBM-JYRVWZFOSA-N
MW346.34 g/mol
LogP3.09
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 16632035) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID16632035
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC NameN-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O4S/c17-10-3-5-11(6-4-10)18-14(20)9-19-15(21)13(24-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20)/b13-8-
InChIKeyWTULQGLBXYUYBM-JYRVWZFOSA-N
XLogP3.09
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
2-[[2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425141
N-(4-fluorophenyl)-2-[(5Z)-5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632028
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 16631973
N-(4-fluorophenyl)-2-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1228063
2-[(5E)-2,4-dioxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 1232368
2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16629316
N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126176122
(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126061434
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 126208243
N-(3-fluorophenyl)-2-[(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126240777
methyl 4-[5-[(E)-[3-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 126175585

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 16632035) is N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is WTULQGLBXYUYBM-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-10-3-5-11(6-4-10)18-14(20)9-19-15(21)13(24-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20)/b13-8-.
What are the key properties of N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 346.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 16632035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).