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

C13H8FN3OS2 — CID 3446623

IUPAC5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(F)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)17(12(15)20-10)13-16-5-6-19-13/h1-7,15H/b10-7?,15-12-
InChIKeyUHXQARLDCUMSIY-WTJNVIMKSA-N
MW305.36 g/mol
LogP3.34
Rot. Bonds2

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

5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3446623) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID3446623
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(F)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)17(12(15)20-10)13-16-5-6-19-13/h1-7,15H/b10-7?,15-12-
InChIKeyUHXQARLDCUMSIY-WTJNVIMKSA-N
XLogP3.34
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3446625
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 92948054
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2065544
5-[[5-(4-fluorophenyl)-2-phenyl-2H-pyrrol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 90843126
N-(4-fluorophenyl)-2-[2-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 16633678
4-[4-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]butanenitrile
CID 171987733
(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633567
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633486
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2893104
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1348398
(5Z)-2-imino-3-(1,3-thiazol-2-yl)-5-[[5-(4-thiomorpholin-4-ylphenyl)-1H-pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 44579154
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 3446623) is 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(F)cc2)C(=O)N1c1nccs1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is UHXQARLDCUMSIY-WTJNVIMKSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)17(12(15)20-10)13-16-5-6-19-13/h1-7,15H/b10-7?,15-12-.
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3446623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).