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

C16H14ClNOS — CID 71372658

IUPAC3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H14ClNOS/c1-11-15(19)18(14-9-5-8-13(17)10-14)16(20-11)12-6-3-2-4-7-12/h2-11,16H,1H3
InChIKeyYPOHWWHAHXRCRD-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.51
Rot. Bonds2

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

3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71372658) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
PubChem CID71372658
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H14ClNOS/c1-11-15(19)18(14-9-5-8-13(17)10-14)16(20-11)12-6-3-2-4-7-12/h2-11,16H,1H3
InChIKeyYPOHWWHAHXRCRD-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one (CID 71372658) is 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one is CC1SC(c2ccccc2)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is YPOHWWHAHXRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-11-15(19)18(14-9-5-8-13(17)10-14)16(20-11)12-6-3-2-4-7-12/h2-11,16H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 303.81 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71372658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).