3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride

C11H15Cl3N2S2 — CID 3038783

IUPAC3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2S2.ClH/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15;/h6-7H,1-5,8H2;1H
InChIKeySENPVRDOTJDJJN-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.30
Rot. Bonds5

About 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride

3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038783) has the molecular formula C11H15Cl3N2S2 and a molecular weight of 345.75 g/mol. Its IUPAC name is 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038783
Molecular FormulaC11H15Cl3N2S2
Molecular Weight345.75 g/mol
Exact Mass343.97
IUPAC Name3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2S2.ClH/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15;/h6-7H,1-5,8H2;1H
InChIKeySENPVRDOTJDJJN-UHFFFAOYSA-N
XLogP4.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-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-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride (CID 3038783) is 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1cnc(SCCCN2CCSC2)c(Cl)c1.
What is the InChIKey of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is SENPVRDOTJDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2S2.ClH/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15;/h6-7H,1-5,8H2;1H.
What are the key properties of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 345.75 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).