(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one

C16H22N2O2S — CID 746528

IUPAC(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/t16-/m1/s1
InChIKeyLLGYPROGDVCAFX-MRXNPFEDSA-N
MW306.43 g/mol
LogP1.98
Rot. Bonds5

About (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one

(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 746528) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID746528
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/t16-/m1/s1
InChIKeyLLGYPROGDVCAFX-MRXNPFEDSA-N
XLogP1.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one (CID 746528) is (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccccc2)N1CCCN1CCOCC1.
What is the InChIKey of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is LLGYPROGDVCAFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/t16-/m1/s1.
What are the key properties of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 306.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 746528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).