3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride

C14H22Cl2N2S2 — CID 3038807

IUPAC3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCCCCN2CCSC2)nc1
InChIInChI=1S/C14H21ClN2S2.ClH/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17;/h5-6,11H,1-4,7-10,12H2;1H
InChIKeyDMNHYFOROKQPHR-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.82
Rot. Bonds8

About 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride

3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038807) has the molecular formula C14H22Cl2N2S2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038807
Molecular FormulaC14H22Cl2N2S2
Molecular Weight353.38 g/mol
Exact Mass352.06
IUPAC Name3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCCCCN2CCSC2)nc1
InChIInChI=1S/C14H21ClN2S2.ClH/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17;/h5-6,11H,1-4,7-10,12H2;1H
InChIKeyDMNHYFOROKQPHR-UHFFFAOYSA-N
XLogP4.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride 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

2-Chloro-5-(methylthio)pyridine
CID 23436923
2-((5-Chloro-2-pyridinyl)thio)ethanol
CID 2774937
2-(4-Chlorophenyl)sulfanylpyridine;hydrochloride
CID 23723186
2-(((4-Chlorophenyl)thio)methyl)pyridine, hydrochloride
CID 12953288
2-(Prop-2-en-1-ylsulfanyl)pyridine
CID 265098
4-Chlorophenyl pyridin-2-yl sulfide
CID 820416
Thiazolidine, 3-(7-(5-chloro-2-pyridyl)thioheptyl)-, hydrochloride
CID 218547
Thiazolidine, 3-(4-(5-chloro-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038736
Thiazolidine, 3-(3-(3,5-dichloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038783
Thiazolidine, 3-(3-(5-chloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038785
Thiazolidine, 3-(3-(5-iodo-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038787
Thiazolidine, 3-(4-(3,5-dichloro-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038789

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride (CID 3038807) is 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1ccc(SCCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is DMNHYFOROKQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S2.ClH/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17;/h5-6,11H,1-4,7-10,12H2;1H.
What are the key properties of 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 353.38 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-chloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).