(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H9F2NOS2 — CID 25067908

IUPAC(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H9F2NOS2/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-
InChIKeyCKCLDRPRGOQJIM-AUWJEWJLSA-N
MW333.38 g/mol
LogP4.12
Rot. Bonds2

About (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 25067908) has the molecular formula C16H9F2NOS2 and a molecular weight of 333.38 g/mol. Its IUPAC name is (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID25067908
Molecular FormulaC16H9F2NOS2
Molecular Weight333.38 g/mol
Exact Mass333.01
IUPAC Name(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H9F2NOS2/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-
InChIKeyCKCLDRPRGOQJIM-AUWJEWJLSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 25067908) is (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CKCLDRPRGOQJIM-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H9F2NOS2/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-.
What are the key properties of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 333.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 25067908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).