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

C11H16Cl2N2S2 — CID 3038785

IUPAC3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCN2CCSC2)nc1
InChIInChI=1S/C11H15ClN2S2.ClH/c12-10-2-3-11(13-8-10)16-6-1-4-14-5-7-15-9-14;/h2-3,8H,1,4-7,9H2;1H
InChIKeyPHJKPNBDCOWULD-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.65
Rot. Bonds5

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

3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038785) has the molecular formula C11H16Cl2N2S2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038785
Molecular FormulaC11H16Cl2N2S2
Molecular Weight311.30 g/mol
Exact Mass310.01
IUPAC Name3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1ccc(SCCCN2CCSC2)nc1
InChIInChI=1S/C11H15ClN2S2.ClH/c12-10-2-3-11(13-8-10)16-6-1-4-14-5-7-15-9-14;/h2-3,8H,1,4-7,9H2;1H
InChIKeyPHJKPNBDCOWULD-UHFFFAOYSA-N
XLogP3.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride (CID 3038785) is 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1ccc(SCCCN2CCSC2)nc1.
What is the InChIKey of 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is PHJKPNBDCOWULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S2.ClH/c12-10-2-3-11(13-8-10)16-6-1-4-14-5-7-15-9-14;/h2-3,8H,1,4-7,9H2;1H.
What are the key properties of 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride?
3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 311.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-chloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).