2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one

C16H12ClF2NOS — CID 3593371

IUPAC2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1Cc1cc(F)ccc1F
InChIInChI=1S/C16H12ClF2NOS/c17-12-3-1-10(2-4-12)16-20(15(21)9-22-16)8-11-7-13(18)5-6-14(11)19/h1-7,16H,8-9H2
InChIKeyXBMJDAPSTAWVTC-UHFFFAOYSA-N
MW339.79 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3593371) has the molecular formula C16H12ClF2NOS and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3593371
Molecular FormulaC16H12ClF2NOS
Molecular Weight339.79 g/mol
Exact Mass339.03
IUPAC Name2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1Cc1cc(F)ccc1F
InChIInChI=1S/C16H12ClF2NOS/c17-12-3-1-10(2-4-12)16-20(15(21)9-22-16)8-11-7-13(18)5-6-14(11)19/h1-7,16H,8-9H2
InChIKeyXBMJDAPSTAWVTC-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3593371) is 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1Cc1cc(F)ccc1F.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is XBMJDAPSTAWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NOS/c17-12-3-1-10(2-4-12)16-20(15(21)9-22-16)8-11-7-13(18)5-6-14(11)19/h1-7,16H,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 339.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).