2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

C17H15ClFNO2S — CID 3858525

IUPAC2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClFNO2S/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-23-17(20)12-4-7-15(19)14(18)8-12/h2-8,17H,9-10H2,1H3
InChIKeyOOUBCXGHTNZWII-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.26
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3858525) has the molecular formula C17H15ClFNO2S and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3858525
Molecular FormulaC17H15ClFNO2S
Molecular Weight351.83 g/mol
Exact Mass351.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClFNO2S/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-23-17(20)12-4-7-15(19)14(18)8-12/h2-8,17H,9-10H2,1H3
InChIKeyOOUBCXGHTNZWII-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 3858525) is 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CSC2c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is OOUBCXGHTNZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2S/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-23-17(20)12-4-7-15(19)14(18)8-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 351.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3858525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).