4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine

C17H21N3S — CID 136871850

IUPAC4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N/CCc2cccc3cccnc23)N1
InChIInChI=1S/C17H21N3S/c1-12(2)15-11-21-17(20-15)19-10-8-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyCTKSEUOXZBLKGM-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.49
Rot. Bonds4

About 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine

4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine (PubChem CID 136871850) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
PubChem CID136871850
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N/CCc2cccc3cccnc23)N1
InChIInChI=1S/C17H21N3S/c1-12(2)15-11-21-17(20-15)19-10-8-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyCTKSEUOXZBLKGM-UHFFFAOYSA-N
XLogP3.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine with MolForge

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Related Compounds

1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
N-(2-quinolin-8-ylethyl)thian-4-amine
CID 112727581
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
8-(3-bromopentyl)quinoline
CID 81221481
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
8-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222111
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
1-quinolin-8-ylpropan-2-amine
CID 63968867
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine (CID 136871850) is 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N/CCc2cccc3cccnc23)N1.
What is the InChIKey of 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine?
The InChIKey is CTKSEUOXZBLKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-12(2)15-11-21-17(20-15)19-10-8-14-6-3-5-13-7-4-9-18-16(13)14/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine?
4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine has a molecular weight of 299.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).