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

C15H13ClN2OS — CID 6925225

IUPAC(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H13ClN2OS/c1-10-14(19)18(13-6-4-12(16)5-7-13)15(20-10)11-3-2-8-17-9-11/h2-10,15H,1H3/t10-,15-/m1/s1
InChIKeyIXDRVFHZVJDSQV-MEBBXXQBSA-N
MW304.80 g/mol
LogP3.90
Rot. Bonds2

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

(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 6925225) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID6925225
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H13ClN2OS/c1-10-14(19)18(13-6-4-12(16)5-7-13)15(20-10)11-3-2-8-17-9-11/h2-10,15H,1H3/t10-,15-/m1/s1
InChIKeyIXDRVFHZVJDSQV-MEBBXXQBSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 6925225) is (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is C[C@H]1S[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is IXDRVFHZVJDSQV-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-14(19)18(13-6-4-12(16)5-7-13)15(20-10)11-3-2-8-17-9-11/h2-10,15H,1H3/t10-,15-/m1/s1.
What are the key properties of (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 304.80 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6925225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).