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

C8H7BrN2S2 — CID 117097307

IUPAC6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCSc1nc2cc(Br)cnc2s1
InChIInChI=1S/C8H7BrN2S2/c1-2-12-8-11-6-3-5(9)4-10-7(6)13-8/h3-4H,2H2,1H3
InChIKeyZTHHRDPQKHHCBJ-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.57
Rot. Bonds2

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

6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 117097307) has the molecular formula C8H7BrN2S2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID117097307
Molecular FormulaC8H7BrN2S2
Molecular Weight275.20 g/mol
Exact Mass273.92
IUPAC Name6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCSc1nc2cc(Br)cnc2s1
InChIInChI=1S/C8H7BrN2S2/c1-2-12-8-11-6-3-5(9)4-10-7(6)13-8/h3-4H,2H2,1H3
InChIKeyZTHHRDPQKHHCBJ-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine (CID 117097307) is 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine is CCSc1nc2cc(Br)cnc2s1.
What is the InChIKey of 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ZTHHRDPQKHHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S2/c1-2-12-8-11-6-3-5(9)4-10-7(6)13-8/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 275.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 117097307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).