3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H9FN2OS2 — CID 1327356

IUPAC3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccncc2)SC(=S)N1c1ccccc1F
InChIInChI=1S/C15H9FN2OS2/c16-11-3-1-2-4-12(11)18-14(19)13(21-15(18)20)9-10-5-7-17-8-6-10/h1-9H
InChIKeyVKEJFWMIOPJSCQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.63
Rot. Bonds2

About 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1327356) has the molecular formula C15H9FN2OS2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1327356
Molecular FormulaC15H9FN2OS2
Molecular Weight316.38 g/mol
Exact Mass316.01
IUPAC Name3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccncc2)SC(=S)N1c1ccccc1F
InChIInChI=1S/C15H9FN2OS2/c16-11-3-1-2-4-12(11)18-14(19)13(21-15(18)20)9-10-5-7-17-8-6-10/h1-9H
InChIKeyVKEJFWMIOPJSCQ-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(2-methylphenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297354
(5Z)-3-(2-chlorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6532108
4-[(E)-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2582816
3-(2-fluorophenyl)-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3990116
(5Z)-3-(2-fluorophenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1414587
3-(2-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3887838
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
5-cinnamylidene-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1329065
3-(2-ethylphenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514969
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126338954
(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6536306
5-benzylidene-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514260

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1327356) is 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2ccncc2)SC(=S)N1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is VKEJFWMIOPJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2OS2/c16-11-3-1-2-4-12(11)18-14(19)13(21-15(18)20)9-10-5-7-17-8-6-10/h1-9H.
What are the key properties of 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 316.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1327356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).