3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one

C9H7Cl2NOS — CID 1478350

IUPAC3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NOS/c10-6-1-2-7(11)8(3-6)12-5-14-4-9(12)13/h1-3H,4-5H2
InChIKeyHRJXNWDAAXUHSF-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.03
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one

3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 1478350) has the molecular formula C9H7Cl2NOS and a molecular weight of 248.13 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID1478350
Molecular FormulaC9H7Cl2NOS
Molecular Weight248.13 g/mol
Exact Mass246.96
IUPAC Name3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NOS/c10-6-1-2-7(11)8(3-6)12-5-14-4-9(12)13/h1-3H,4-5H2
InChIKeyHRJXNWDAAXUHSF-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one (CID 1478350) is 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one is O=C1CSCN1c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is HRJXNWDAAXUHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NOS/c10-6-1-2-7(11)8(3-6)12-5-14-4-9(12)13/h1-3H,4-5H2.
What are the key properties of 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one?
3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 248.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1478350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).