(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C17H26N2OS — CID 14649209

IUPAC(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCC[C@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-4-5-6-7-8-11-15-16(20)19(2)17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,3-8,11H2,1-2H3/t15-,17-/m1/s1
InChIKeyVILHDFUQASSGLR-NVXWUHKLSA-N
MW306.47 g/mol
LogP4.40
Rot. Bonds8

About (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 14649209) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID14649209
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCC[C@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-4-5-6-7-8-11-15-16(20)19(2)17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,3-8,11H2,1-2H3/t15-,17-/m1/s1
InChIKeyVILHDFUQASSGLR-NVXWUHKLSA-N
XLogP4.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-ethyl-3-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15731935
(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 131845439
3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15171473
3-acetyl-4-hydroxy-1-octyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3589786
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555
5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one
CID 19990577
2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 19831115
4-chloro-3-methyl-2-pyridin-3-yl-2H-1,3-thiazole
CID 174859907
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
ethyl 11-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]undecanoate
CID 88517636
3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304136

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 14649209) is (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is CCCCCCCC[C@H]1S[C@H](c2cccnc2)N(C)C1=O.
What is the InChIKey of (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is VILHDFUQASSGLR-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-4-5-6-7-8-11-15-16(20)19(2)17(21-15)14-10-9-12-18-13-14/h9-10,12-13,15,17H,3-8,11H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14649209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).