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

C15H13F2NOS2 — CID 25058769

IUPAC2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1
InChIInChI=1S/C15H13F2NOS2/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
InChIKeyMBJMZGLEQRFQDB-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds3

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

2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 25058769) has the molecular formula C15H13F2NOS2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID25058769
Molecular FormulaC15H13F2NOS2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1
InChIInChI=1S/C15H13F2NOS2/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
InChIKeyMBJMZGLEQRFQDB-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (CID 25058769) is 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is MBJMZGLEQRFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS2/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-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).