6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine

C10H11BrN2OS2 — CID 76850321

IUPAC6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCS(=O)c1nc2nc(C)c(Br)c(C)c2s1
InChIInChI=1S/C10H11BrN2OS2/c1-4-16(14)10-13-9-8(15-10)5(2)7(11)6(3)12-9/h4H2,1-3H3
InChIKeyKQQVYLNXKDWRSQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.20
Rot. Bonds2

About 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine

6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850321) has the molecular formula C10H11BrN2OS2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850321
Molecular FormulaC10H11BrN2OS2
Molecular Weight319.25 g/mol
Exact Mass317.95
IUPAC Name6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCS(=O)c1nc2nc(C)c(Br)c(C)c2s1
InChIInChI=1S/C10H11BrN2OS2/c1-4-16(14)10-13-9-8(15-10)5(2)7(11)6(3)12-9/h4H2,1-3H3
InChIKeyKQQVYLNXKDWRSQ-UHFFFAOYSA-N
XLogP3.20
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850321) is 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is CCS(=O)c1nc2nc(C)c(Br)c(C)c2s1.
What is the InChIKey of 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is KQQVYLNXKDWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS2/c1-4-16(14)10-13-9-8(15-10)5(2)7(11)6(3)12-9/h4H2,1-3H3.
What are the key properties of 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 319.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethylsulfinyl-5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).