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

C18H16ClNO3S — CID 170008693

IUPAC5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C(COc1ccc(CC2SCNC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO3S/c19-15-4-2-1-3-14(15)16(21)10-23-13-7-5-12(6-8-13)9-17-18(22)20-11-24-17/h1-8,17H,9-11H2,(H,20,22)
InChIKeySCBSXGUVYLXURV-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.33
Rot. Bonds6

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

5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 170008693) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID170008693
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C(COc1ccc(CC2SCNC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO3S/c19-15-4-2-1-3-14(15)16(21)10-23-13-7-5-12(6-8-13)9-17-18(22)20-11-24-17/h1-8,17H,9-11H2,(H,20,22)
InChIKeySCBSXGUVYLXURV-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one (CID 170008693) is 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one is O=C(COc1ccc(CC2SCNC2=O)cc1)c1ccccc1Cl.
What is the InChIKey of 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is SCBSXGUVYLXURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-15-4-2-1-3-14(15)16(21)10-23-13-7-5-12(6-8-13)9-17-18(22)20-11-24-17/h1-8,17H,9-11H2,(H,20,22).
What are the key properties of 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one?
5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 361.85 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 170008693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).