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

C16H10F2N2OS — CID 1227083

IUPAC(5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10F2N2OS/c17-11-6-2-1-5-10(11)9-14-15(21)20(16(19)22-14)13-8-4-3-7-12(13)18/h1-9,19H/b14-9-,19-16-
InChIKeyREHNWDYUEBYKIY-MXOJYHIHSA-N
MW316.33 g/mol
LogP4.02
Rot. Bonds2

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

(5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 1227083) has the molecular formula C16H10F2N2OS and a molecular weight of 316.33 g/mol. Its IUPAC name is (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID1227083
Molecular FormulaC16H10F2N2OS
Molecular Weight316.33 g/mol
Exact Mass316.05
IUPAC Name(5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10F2N2OS/c17-11-6-2-1-5-10(11)9-14-15(21)20(16(19)22-14)13-8-4-3-7-12(13)18/h1-9,19H/b14-9-,19-16-
InChIKeyREHNWDYUEBYKIY-MXOJYHIHSA-N
XLogP4.02
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
Rhodanine, 5-benzylidene-3-phenyl-
CID 2302276
(5E)-5-benzylidene-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1549243
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004521
(Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236806
N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135401758

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 1227083) is (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1F.
What is the InChIKey of (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is REHNWDYUEBYKIY-MXOJYHIHSA-N. The full InChI is InChI=1S/C16H10F2N2OS/c17-11-6-2-1-5-10(11)9-14-15(21)20(16(19)22-14)13-8-4-3-7-12(13)18/h1-9,19H/b14-9-,19-16-.
What are the key properties of (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 316.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1227083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).