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

C11H14Cl2N2S2 — CID 3038784

IUPAC3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine
SMILESClc1cnc(SCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2S2/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15/h6-7H,1-5,8H2
InChIKeyGEBGPFOLUUXPIW-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.88
Rot. Bonds5

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

3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine (PubChem CID 3038784) has the molecular formula C11H14Cl2N2S2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine
PubChem CID3038784
Molecular FormulaC11H14Cl2N2S2
Molecular Weight309.29 g/mol
Exact Mass308.00
IUPAC Name3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine
SMILESClc1cnc(SCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2S2/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15/h6-7H,1-5,8H2
InChIKeyGEBGPFOLUUXPIW-UHFFFAOYSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.88
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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Related Compounds

2-(4-Chlorophenyl)sulfanylpyridine;hydrochloride
CID 23723186
Thiazolidine, 3-(7-(5-chloro-2-pyridyl)thioheptyl)-, hydrochloride
CID 218547
Thiazolidine, 3-(4-(5-chloro-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038736
Thiazolidine, 3-(3-(3,5-dichloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038783
Thiazolidine, 3-(3-(5-chloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038785
Thiazolidine, 3-(3-(5-iodo-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038787
Thiazolidine, 3-(4-(3,5-dichloro-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038789
Thiazolidine, 3-(4-(5-iodo-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038793
Thiazolidine, 3-(5-(5-chloro-2-pyridyl)thiopentyl)-, dihydrochloride
CID 3038799
Thiazolidine, 3-(5-(5-iodo-2-pyridyl)thiopentyl)-, hydrochloride
CID 3038801
Thiazolidine, 3-(6-(3,5-dichloro-2-pyridyl)thiohexyl)-, hydrochloride
CID 3038803
Thiazolidine, 3-(6-(5-chloro-2-pyridyl)thiohexyl)-, hydrochloride
CID 3038807

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine?
The IUPAC name of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine (CID 3038784) is 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine?
The canonical SMILES for 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine is Clc1cnc(SCCCN2CCSC2)c(Cl)c1.
What is the InChIKey of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine?
The InChIKey is GEBGPFOLUUXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2S2/c12-9-6-10(13)11(14-7-9)17-4-1-2-15-3-5-16-8-15/h6-7H,1-5,8H2.
What are the key properties of 3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine?
3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine has a molecular weight of 309.29 g/mol, XLogP of 3.88, 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 is sourced from PubChem (CID 3038784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).