2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C21H35N3OS — CID 19831115

IUPAC2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O
InChIInChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25)
InChIKeyBIIOOOVJDFZBAD-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.56
Rot. Bonds12

About 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 19831115) has the molecular formula C21H35N3OS and a molecular weight of 377.60 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID19831115
Molecular FormulaC21H35N3OS
Molecular Weight377.60 g/mol
Exact Mass377.25
IUPAC Name2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O
InChIInChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25)
InChIKeyBIIOOOVJDFZBAD-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 14649209
3-octadecoxypyridine
CID 175800212
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
3-octyl-3H-2-benzothiophen-1-one
CID 56970905
3-hex-1-enoxy-3-pyridin-3-yl-2H-1,2,5-thiadiazole
CID 139738609
4-ethyl-4-pyridin-3-yl-1,3-oxazolidin-2-one
CID 67719324
dimethyl-octyl-pyridin-3-ylsilane
CID 11196014
3-tridecan-7-ylpyridine
CID 129119745
3-undecylthiirane-2-thione
CID 174998073
pyridin-3-yl N-[(dimethylamino)methyl]-N-heptylcarbamate;dihydrochloride
CID 3027934
CID 89140707
CID 89140707
1-butyl-5-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-diazinane-2,4,6-trione
CID 10939426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 19831115) is 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is CCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is BIIOOOVJDFZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 377.60 g/mol, XLogP of 4.56, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 19831115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).