2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine

C13H9BrN2S2 — CID 117097310

IUPAC2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1cnc2sc(SCc3ccccc3)nc2c1
InChIInChI=1S/C13H9BrN2S2/c14-10-6-11-12(15-7-10)18-13(16-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLXBATAPTIBXRDR-UHFFFAOYSA-N
MW337.27 g/mol
LogP4.75
Rot. Bonds3

About 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine

2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 117097310) has the molecular formula C13H9BrN2S2 and a molecular weight of 337.27 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
PubChem CID117097310
Molecular FormulaC13H9BrN2S2
Molecular Weight337.27 g/mol
Exact Mass335.94
IUPAC Name2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1cnc2sc(SCc3ccccc3)nc2c1
InChIInChI=1S/C13H9BrN2S2/c14-10-6-11-12(15-7-10)18-13(16-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLXBATAPTIBXRDR-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
CID 117097307
2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
CID 15143169
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857
2-[(5-bromo-2-pyridinyl)methylsulfanyl]-1,3-benzothiazole
CID 113234593
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
3-benzylsulfanyl-5-bromo-2-nitropyridine
CID 164858730
3-benzylsulfanyl-6-bromoquinoline
CID 139226938
3-benzylsulfanyl-5-bromopyridine
CID 71076689
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
2-benzylsulfanyl-5-bromopyridine;5-bromo-2-chloropyridine
CID 160822537
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine (CID 117097310) is 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine is Brc1cnc2sc(SCc3ccccc3)nc2c1.
What is the InChIKey of 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is LXBATAPTIBXRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2S2/c14-10-6-11-12(15-7-10)18-13(16-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine?
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 337.27 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 117097310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).