2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

C13H11ClFN3OS2 — CID 16728008

IUPAC2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCc1nnc(N2C(=O)CSC2c2c(F)cccc2Cl)s1
InChIInChI=1S/C13H11ClFN3OS2/c1-2-9-16-17-13(21-9)18-10(19)6-20-12(18)11-7(14)4-3-5-8(11)15/h3-5,12H,2,6H2,1H3
InChIKeyLEYKPLQKYLFTQB-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.67
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728008) has the molecular formula C13H11ClFN3OS2 and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728008
Molecular FormulaC13H11ClFN3OS2
Molecular Weight343.84 g/mol
Exact Mass343.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCc1nnc(N2C(=O)CSC2c2c(F)cccc2Cl)s1
InChIInChI=1S/C13H11ClFN3OS2/c1-2-9-16-17-13(21-9)18-10(19)6-20-12(18)11-7(14)4-3-5-8(11)15/h3-5,12H,2,6H2,1H3
InChIKeyLEYKPLQKYLFTQB-UHFFFAOYSA-N
XLogP3.67
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (CID 16728008) is 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is CCc1nnc(N2C(=O)CSC2c2c(F)cccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is LEYKPLQKYLFTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS2/c1-2-9-16-17-13(21-9)18-10(19)6-20-12(18)11-7(14)4-3-5-8(11)15/h3-5,12H,2,6H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 343.84 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).