3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride

C14H21Cl3N2S2 — CID 3038803

IUPAC3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2S2.ClH/c15-12-9-13(16)14(17-10-12)20-7-4-2-1-3-5-18-6-8-19-11-18;/h9-10H,1-8,11H2;1H
InChIKeyFTRNOUCMCKWOKR-UHFFFAOYSA-N
MW387.83 g/mol
LogP5.47
Rot. Bonds8

About 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride

3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038803) has the molecular formula C14H21Cl3N2S2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038803
Molecular FormulaC14H21Cl3N2S2
Molecular Weight387.83 g/mol
Exact Mass386.02
IUPAC Name3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2S2.ClH/c15-12-9-13(16)14(17-10-12)20-7-4-2-1-3-5-18-6-8-19-11-18;/h9-10H,1-8,11H2;1H
InChIKeyFTRNOUCMCKWOKR-UHFFFAOYSA-N
XLogP5.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.83
LogP ≤ 55.47
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-(5-chloro-2-pyridyl)thiohexyl)-, hydrochloride
CID 3038807
Thiazolidine, 3-(6-(5-iodo-2-pyridyl)thiohexyl)-, hydrochloride
CID 3038809

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride (CID 3038803) is 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1cnc(SCCCCCCN2CCSC2)c(Cl)c1.
What is the InChIKey of 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is FTRNOUCMCKWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2S2.ClH/c15-12-9-13(16)14(17-10-12)20-7-4-2-1-3-5-18-6-8-19-11-18;/h9-10H,1-8,11H2;1H.
What are the key properties of 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride?
3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 387.83 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,5-dichloro-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).