3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride

C13H21Cl3N2S2 — CID 3038799

IUPAC3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19ClN2S2.2ClH/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16;;/h4-5,10H,1-3,6-9,11H2;2*1H
InChIKeyKZKHRXIMQFERJC-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.85
Rot. Bonds7

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

3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride (PubChem CID 3038799) has the molecular formula C13H21Cl3N2S2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride.

Molecular Properties

Compound Name3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride
PubChem CID3038799
Molecular FormulaC13H21Cl3N2S2
Molecular Weight375.82 g/mol
Exact Mass374.02
IUPAC Name3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19ClN2S2.2ClH/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16;;/h4-5,10H,1-3,6-9,11H2;2*1H
InChIKeyKZKHRXIMQFERJC-UHFFFAOYSA-N
XLogP4.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.85
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-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride?
The IUPAC name of 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride (CID 3038799) is 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride.
What is the SMILES notation for 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride?
The canonical SMILES for 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride is Cl.Cl.Clc1ccc(SCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride?
The InChIKey is KZKHRXIMQFERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S2.2ClH/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16;;/h4-5,10H,1-3,6-9,11H2;2*1H.
What are the key properties of 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride?
3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride has a molecular weight of 375.82 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chloro-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;dihydrochloride is sourced from PubChem (CID 3038799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).