2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one

C15H13ClFNOS2 — CID 25058719

IUPAC2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H13ClFNOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKeyVEIXNOSELHHQNA-UHFFFAOYSA-N
MW341.86 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 25058719) has the molecular formula C15H13ClFNOS2 and a molecular weight of 341.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID25058719
Molecular FormulaC15H13ClFNOS2
Molecular Weight341.86 g/mol
Exact Mass341.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H13ClFNOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKeyVEIXNOSELHHQNA-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 54.62
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-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (CID 25058719) is 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2c(F)cccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is VEIXNOSELHHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 341.86 g/mol, XLogP of 4.62, 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-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).