5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H13ClN2O2S — CID 14649303

IUPAC5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(c2ccc(Cl)cc2)S(=O)C1c1cccnc1
InChIInChI=1S/C15H13ClN2O2S/c1-18-14(19)13(10-4-6-12(16)7-5-10)21(20)15(18)11-3-2-8-17-9-11/h2-9,13,15H,1H3
InChIKeyRDPAONBSLHNLSE-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.70
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one

5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 14649303) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID14649303
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(c2ccc(Cl)cc2)S(=O)C1c1cccnc1
InChIInChI=1S/C15H13ClN2O2S/c1-18-14(19)13(10-4-6-12(16)7-5-10)21(20)15(18)11-3-2-8-17-9-11/h2-9,13,15H,1H3
InChIKeyRDPAONBSLHNLSE-UHFFFAOYSA-N
XLogP2.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 14649303) is 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one is CN1C(=O)C(c2ccc(Cl)cc2)S(=O)C1c1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is RDPAONBSLHNLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-18-14(19)13(10-4-6-12(16)7-5-10)21(20)15(18)11-3-2-8-17-9-11/h2-9,13,15H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 320.80 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14649303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).