3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride

C13H20ClIN2S2 — CID 3038801

IUPAC3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Ic1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19IN2S2.ClH/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;1H
InChIKeyWFSZWNRIAAJGQM-UHFFFAOYSA-N
MW430.81 g/mol
LogP4.38
Rot. Bonds7

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

3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038801) has the molecular formula C13H20ClIN2S2 and a molecular weight of 430.81 g/mol. Its IUPAC name is 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038801
Molecular FormulaC13H20ClIN2S2
Molecular Weight430.81 g/mol
Exact Mass429.98
IUPAC Name3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Ic1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19IN2S2.ClH/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;1H
InChIKeyWFSZWNRIAAJGQM-UHFFFAOYSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
1-(2-(2-Thienyl)vinyl)pyridinium bromide
CID 6444197
2-Pyridinyl thiocyanate
CID 75835
2-(5-Pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanenitrile
CID 16303471
2-(Heptyldisulfanyl)pyridine
CID 142928612
2-(Butyldisulfanyl)pyridine
CID 45116400
2,2'-Thiodipyridine
CID 521114
Pyridine, 4-(propylthio)-
CID 592710
Pyridinium, 1-methyl-2-(methylthio)-, iodide
CID 3038609
n-Propyl 2-pyridyl disulfide
CID 194112
(E)-1,4-Bis(2-pyridinylthio)-2-butene
CID 5713753

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride (CID 3038801) is 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride is Cl.Ic1ccc(SCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is WFSZWNRIAAJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2S2.ClH/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;1H.
What are the key properties of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride?
3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 430.81 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).