5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C17H26N2OS — CID 14649072

IUPAC5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(c2cccnc2)NC1=O
InChIInChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-8-11-15-16(20)19-17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,2-8,11H2,1H3,(H,19,20)
InChIKeyFHYIJCJUQUFAES-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.45
Rot. Bonds9

About 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 14649072) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID14649072
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(c2cccnc2)NC1=O
InChIInChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-8-11-15-16(20)19-17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,2-8,11H2,1H3,(H,19,20)
InChIKeyFHYIJCJUQUFAES-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 14649072) is 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is CCCCCCCCCC1SC(c2cccnc2)NC1=O.
What is the InChIKey of 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is FHYIJCJUQUFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-8-11-15-16(20)19-17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,2-8,11H2,1H3,(H,19,20).
What are the key properties of 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14649072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).