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

C15H26N2OS — CID 44612792

IUPAC3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C15H26N2OS/c1-3-4-5-6-10-17-14(18)12-19-15(17)13-8-7-9-16(2)11-13/h8,15H,3-7,9-12H2,1-2H3
InChIKeyGMGVHBZHWKUYNH-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.73
Rot. Bonds6

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

3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (PubChem CID 44612792) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
PubChem CID44612792
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C15H26N2OS/c1-3-4-5-6-10-17-14(18)12-19-15(17)13-8-7-9-16(2)11-13/h8,15H,3-7,9-12H2,1-2H3
InChIKeyGMGVHBZHWKUYNH-UHFFFAOYSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (CID 44612792) is 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is CCCCCCN1C(=O)CSC1C1=CCCN(C)C1.
What is the InChIKey of 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is GMGVHBZHWKUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-4-5-6-10-17-14(18)12-19-15(17)13-8-7-9-16(2)11-13/h8,15H,3-7,9-12H2,1-2H3.
What are the key properties of 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 282.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44612792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).