(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione

C16H10FNO2S — CID 18840149

IUPAC(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10FNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyRFQQTQCNOIYNGN-UVTDQMKNSA-N
MW299.33 g/mol
LogP4.07
Rot. Bonds2

About (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840149) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840149
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10FNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyRFQQTQCNOIYNGN-UVTDQMKNSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840156
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840172
3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1327356
4-[(E)-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2582816
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[(2-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251958
(5Z)-3-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837510
3-(2-fluorophenyl)-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3990116
(5Z)-5-[(3-fluorophenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837226
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126310080
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836720

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione (CID 18840149) is (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1F.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RFQQTQCNOIYNGN-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-.
What are the key properties of (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).