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

C13H22N2OS — CID 44612793

IUPAC3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C13H22N2OS/c1-3-4-8-15-12(16)10-17-13(15)11-6-5-7-14(2)9-11/h6,13H,3-5,7-10H2,1-2H3
InChIKeyFAXDBBDSLCEOCJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.95
Rot. Bonds4

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

3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (PubChem CID 44612793) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
PubChem CID44612793
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C13H22N2OS/c1-3-4-8-15-12(16)10-17-13(15)11-6-5-7-14(2)9-11/h6,13H,3-5,7-10H2,1-2H3
InChIKeyFAXDBBDSLCEOCJ-UHFFFAOYSA-N
XLogP1.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.95
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 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (CID 44612793) is 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is CCCCN1C(=O)CSC1C1=CCCN(C)C1.
What is the InChIKey of 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is FAXDBBDSLCEOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-4-8-15-12(16)10-17-13(15)11-6-5-7-14(2)9-11/h6,13H,3-5,7-10H2,1-2H3.
What are the key properties of 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 254.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44612793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).