3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride

C16H26Cl2N2S2 — CID 3038817

IUPAC3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCCCCCCN2CCSC2)nc1
InChIInChI=1S/C16H25ClN2S2.ClH/c17-15-7-8-16(18-13-15)21-11-6-4-2-1-3-5-9-19-10-12-20-14-19;/h7-8,13H,1-6,9-12,14H2;1H
InChIKeyWIILDCMHDCIZQR-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.60
Rot. Bonds10

About 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride

3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038817) has the molecular formula C16H26Cl2N2S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038817
Molecular FormulaC16H26Cl2N2S2
Molecular Weight381.44 g/mol
Exact Mass380.09
IUPAC Name3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCCCCCCN2CCSC2)nc1
InChIInChI=1S/C16H25ClN2S2.ClH/c17-15-7-8-16(18-13-15)21-11-6-4-2-1-3-5-9-19-10-12-20-14-19;/h7-8,13H,1-6,9-12,14H2;1H
InChIKeyWIILDCMHDCIZQR-UHFFFAOYSA-N
XLogP5.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride (CID 3038817) is 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1ccc(SCCCCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is WIILDCMHDCIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S2.ClH/c17-15-7-8-16(18-13-15)21-11-6-4-2-1-3-5-9-19-10-12-20-14-19;/h7-8,13H,1-6,9-12,14H2;1H.
What are the key properties of 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride?
3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 381.44 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(5-chloro-2-pyridinyl)sulfanyl]octyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).