3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine

C15H23BrN2S2 — CID 3038814

IUPAC3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine
SMILESBrc1ccc(SCCCCCCCN2CCSC2)nc1
InChIInChI=1S/C15H23BrN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2
InChIKeySDUIMMCEAIODEA-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.89
Rot. Bonds9

About 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine

3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine (PubChem CID 3038814) has the molecular formula C15H23BrN2S2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine
PubChem CID3038814
Molecular FormulaC15H23BrN2S2
Molecular Weight375.40 g/mol
Exact Mass374.05
IUPAC Name3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine
SMILESBrc1ccc(SCCCCCCCN2CCSC2)nc1
InChIInChI=1S/C15H23BrN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2
InChIKeySDUIMMCEAIODEA-UHFFFAOYSA-N
XLogP4.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-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

3-[5-[(5-iodo-2-pyridinyl)sulfanyl]pentyl]-1,3-thiazolidine
CID 3038802
3-[4-[(5-iodo-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine
CID 3038794
3-[3-[(3,5-dichloro-2-pyridinyl)sulfanyl]propyl]-1,3-thiazolidine
CID 3038784
3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
CID 3038833
3-[5-(6-chloro-4-methylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine;dihydrochloride
CID 3038826
5-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 61339408
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
6-[(5-bromo-2-pyridinyl)sulfanyl]hexan-3-one
CID 104623596
4-[(5-bromo-2-pyridinyl)sulfanyl]butan-2-one
CID 61339572
5-[(5-bromo-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 65255657
3-[3-[(5-bromo-2-pyridinyl)sulfanyl]propyl]aniline
CID 113384446
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine?
The IUPAC name of 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine (CID 3038814) is 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine?
The canonical SMILES for 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine is Brc1ccc(SCCCCCCCN2CCSC2)nc1.
What is the InChIKey of 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine?
The InChIKey is SDUIMMCEAIODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2.
What are the key properties of 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine?
3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine has a molecular weight of 375.40 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(5-bromo-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine is sourced from PubChem (CID 3038814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).