2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine

C9H9ClN2S — CID 139355626

IUPAC2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC(C)c1cnc2nc(Cl)sc2c1
InChIInChI=1S/C9H9ClN2S/c1-5(2)6-3-7-8(11-4-6)12-9(10)13-7/h3-5H,1-2H3
InChIKeyYAXVIDHFJPSKDM-UHFFFAOYSA-N
MW212.71 g/mol
LogP3.47
Rot. Bonds1

About 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine

2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 139355626) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID139355626
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC(C)c1cnc2nc(Cl)sc2c1
InChIInChI=1S/C9H9ClN2S/c1-5(2)6-3-7-8(11-4-6)12-9(10)13-7/h3-5H,1-2H3
InChIKeyYAXVIDHFJPSKDM-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine (CID 139355626) is 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine is CC(C)c1cnc2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is YAXVIDHFJPSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-5(2)6-3-7-8(11-4-6)12-9(10)13-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 212.71 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 139355626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).