3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine

C14H21BrN2S2 — CID 3038806

IUPAC3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine
SMILESBrc1ccc(SCCCCCCN2CCSC2)nc1
InChIInChI=1S/C14H21BrN2S2/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17/h5-6,11H,1-4,7-10,12H2
InChIKeyFRXQRPLFODBZJN-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.50
Rot. Bonds8

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

3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine (PubChem CID 3038806) has the molecular formula C14H21BrN2S2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine
PubChem CID3038806
Molecular FormulaC14H21BrN2S2
Molecular Weight361.37 g/mol
Exact Mass360.03
IUPAC Name3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine
SMILESBrc1ccc(SCCCCCCN2CCSC2)nc1
InChIInChI=1S/C14H21BrN2S2/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17/h5-6,11H,1-4,7-10,12H2
InChIKeyFRXQRPLFODBZJN-UHFFFAOYSA-N
XLogP4.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine
CID 44374233
5-Bromo-2-(methylthio)pyridine
CID 11424251
5-Bromo-2-(phenylsulfanyl)pyridine
CID 22180667
2-Bromo-5-(methylthio)pyridine
CID 11658494
(E)-1,4-Bis(2-pyridinylthio)-2-butene
CID 5713753
2-(Prop-2-en-1-ylsulfanyl)pyridine
CID 265098
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-(5-chloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038785
Thiazolidine, 3-(3-(5-iodo-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038787
Thiazolidine, 3-(4-(5-bromo-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038791
Thiazolidine, 3-(4-(5-iodo-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038793

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine?
The IUPAC name of 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine (CID 3038806) is 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine?
The canonical SMILES for 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine is Brc1ccc(SCCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine?
The InChIKey is FRXQRPLFODBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S2/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17/h5-6,11H,1-4,7-10,12H2.
What are the key properties of 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine?
3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine has a molecular weight of 361.37 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-bromo-2-pyridinyl)sulfanyl]hexyl]-1,3-thiazolidine is sourced from PubChem (CID 3038806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).