2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one

C15H18N2OS — CID 44612791

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCN1CCC=C(C2SCC(=O)N2c2ccccc2)C1
InChIInChI=1S/C15H18N2OS/c1-16-9-5-6-12(10-16)15-17(14(18)11-19-15)13-7-3-2-4-8-13/h2-4,6-8,15H,5,9-11H2,1H3
InChIKeyBSRXRTYLTBWZAC-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.35
Rot. Bonds2

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 44612791) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID44612791
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCN1CCC=C(C2SCC(=O)N2c2ccccc2)C1
InChIInChI=1S/C15H18N2OS/c1-16-9-5-6-12(10-16)15-17(14(18)11-19-15)13-7-3-2-4-8-13/h2-4,6-8,15H,5,9-11H2,1H3
InChIKeyBSRXRTYLTBWZAC-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one (CID 44612791) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one is CN1CCC=C(C2SCC(=O)N2c2ccccc2)C1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is BSRXRTYLTBWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-9-5-6-12(10-16)15-17(14(18)11-19-15)13-7-3-2-4-8-13/h2-4,6-8,15H,5,9-11H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 44612791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).