3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine

C13H12N2OS2 — CID 127036250

IUPAC3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCC(C)Oc1snc2cc(-c3ccsc3)cnc12
InChIInChI=1S/C13H12N2OS2/c1-8(2)16-13-12-11(15-18-13)5-10(6-14-12)9-3-4-17-7-9/h3-8H,1-2H3
InChIKeyISXUKNDTNGWYPE-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.21
Rot. Bonds3

About 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine

3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 127036250) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID127036250
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCC(C)Oc1snc2cc(-c3ccsc3)cnc12
InChIInChI=1S/C13H12N2OS2/c1-8(2)16-13-12-11(15-18-13)5-10(6-14-12)9-3-4-17-7-9/h3-8H,1-2H3
InChIKeyISXUKNDTNGWYPE-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine (CID 127036250) is 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine is CC(C)Oc1snc2cc(-c3ccsc3)cnc12.
What is the InChIKey of 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is ISXUKNDTNGWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-8(2)16-13-12-11(15-18-13)5-10(6-14-12)9-3-4-17-7-9/h3-8H,1-2H3.
What are the key properties of 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 276.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 127036250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).