2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

C14H11ClFNOS2 — CID 25058767

IUPAC2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1Cc1cccs1
InChIInChI=1S/C14H11ClFNOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKeyFJZPUSDZQOZKRF-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 25058767) has the molecular formula C14H11ClFNOS2 and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID25058767
Molecular FormulaC14H11ClFNOS2
Molecular Weight327.83 g/mol
Exact Mass327.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1Cc1cccs1
InChIInChI=1S/C14H11ClFNOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKeyFJZPUSDZQOZKRF-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 25058767) is 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1Cc1cccs1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is FJZPUSDZQOZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 327.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).