2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C11H10FNOS2 — CID 82120333

IUPAC2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCSC1=S
InChIInChI=1S/C11H10FNOS2/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyXVFCRJJWOXRSNJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.23
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 82120333) has the molecular formula C11H10FNOS2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID82120333
Molecular FormulaC11H10FNOS2
Molecular Weight255.34 g/mol
Exact Mass255.02
IUPAC Name2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCSC1=S
InChIInChI=1S/C11H10FNOS2/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyXVFCRJJWOXRSNJ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 82120333) is 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCSC1=S.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is XVFCRJJWOXRSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS2/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2.
What are the key properties of 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 255.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 82120333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).