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

C13H19IN2S2 — CID 3038802

IUPAC3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine
SMILESIc1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19IN2S2/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
InChIKeyCNCAOZQYZCBYTB-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.95
Rot. Bonds7

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

3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine (PubChem CID 3038802) has the molecular formula C13H19IN2S2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine
PubChem CID3038802
Molecular FormulaC13H19IN2S2
Molecular Weight394.35 g/mol
Exact Mass394.00
IUPAC Name3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine
SMILESIc1ccc(SCCCCCN2CCSC2)nc1
InChIInChI=1S/C13H19IN2S2/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
InChIKeyCNCAOZQYZCBYTB-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.95
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
N,N-dimethyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide
CID 9533791
1-(2-(2-Thienyl)vinyl)pyridinium bromide
CID 6444197
2-Pyridinyl thiocyanate
CID 75835
2-(2-Pyridylthio)ethan-1-ol
CID 2774933
2-(5-Pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanenitrile
CID 16303471
2-(Octyldisulfanyl)pyridine
CID 141482874
2-(Heptyldisulfanyl)pyridine
CID 142928612
2-(Nonyldisulfanyl)pyridine
CID 162650625
2-(Butyldisulfanyl)pyridine
CID 45116400
2,2'-Thiodipyridine
CID 521114

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine?
The IUPAC name of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine (CID 3038802) is 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine?
The canonical SMILES for 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine is Ic1ccc(SCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine?
The InChIKey is CNCAOZQYZCBYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2S2/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.
What are the key properties of 3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine?
3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine has a molecular weight of 394.35 g/mol, XLogP of 3.95, 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 is sourced from PubChem (CID 3038802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).