3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine

C19H26N2S2 — CID 3038833

IUPAC3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
SMILESCc1ccc2nc(SCCCCCN3CCSC3)cc(C)c2c1
InChIInChI=1S/C19H26N2S2/c1-15-6-7-18-17(12-15)16(2)13-19(20-18)23-10-5-3-4-8-21-9-11-22-14-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKeyDFQZPNMHDVETTM-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.12
Rot. Bonds7

About 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine

3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine (PubChem CID 3038833) has the molecular formula C19H26N2S2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
PubChem CID3038833
Molecular FormulaC19H26N2S2
Molecular Weight346.56 g/mol
Exact Mass346.15
IUPAC Name3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
SMILESCc1ccc2nc(SCCCCCN3CCSC3)cc(C)c2c1
InChIInChI=1S/C19H26N2S2/c1-15-6-7-18-17(12-15)16(2)13-19(20-18)23-10-5-3-4-8-21-9-11-22-14-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKeyDFQZPNMHDVETTM-UHFFFAOYSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(6-chloro-4-methylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine;dihydrochloride
CID 3038826
3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine
CID 3038814
4,6-dimethyl-2-methylsulfanylquinoline
CID 11499416
2-(4,6-dimethylquinolin-2-yl)sulfanylacetonitrile
CID 43840430
2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146044569
4-[[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 1130711
3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
CID 21153416
4-methyl-2-(4-phenoxybutylsulfanyl)quinoline
CID 39774362
(3S,8aS)-2-[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137343123
(3S,8aR)-2-[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137342292
2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid
CID 43840423
3-[3-(4-methylquinolin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 16541537

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine?
The IUPAC name of 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine (CID 3038833) is 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine?
The canonical SMILES for 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine is Cc1ccc2nc(SCCCCCN3CCSC3)cc(C)c2c1.
What is the InChIKey of 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine?
The InChIKey is DFQZPNMHDVETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S2/c1-15-6-7-18-17(12-15)16(2)13-19(20-18)23-10-5-3-4-8-21-9-11-22-14-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3.
What are the key properties of 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine?
3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine has a molecular weight of 346.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine is sourced from PubChem (CID 3038833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).