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

C8H7ClN2S — CID 139355872

IUPAC2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(Cl)sc2c1C
InChIInChI=1S/C8H7ClN2S/c1-4-3-10-7-6(5(4)2)12-8(9)11-7/h3H,1-2H3
InChIKeyUDLXHUOCRDZHBJ-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.96
Rot. Bonds

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

2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 139355872) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID139355872
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(Cl)sc2c1C
InChIInChI=1S/C8H7ClN2S/c1-4-3-10-7-6(5(4)2)12-8(9)11-7/h3H,1-2H3
InChIKeyUDLXHUOCRDZHBJ-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (CID 139355872) is 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(Cl)sc2c1C.
What is the InChIKey of 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is UDLXHUOCRDZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-3-10-7-6(5(4)2)12-8(9)11-7/h3H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 198.68 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 139355872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).