5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile

C9H7N3S — CID 166975504

IUPAC5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile
SMILESCCc1ccc2sc(C#N)nc2n1
InChIInChI=1S/C9H7N3S/c1-2-6-3-4-7-9(11-6)12-8(5-10)13-7/h3-4H,2H2,1H3
InChIKeyXUIFGLISYYTDRV-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.13
Rot. Bonds1

About 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile

5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile (PubChem CID 166975504) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile
PubChem CID166975504
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile
SMILESCCc1ccc2sc(C#N)nc2n1
InChIInChI=1S/C9H7N3S/c1-2-6-3-4-7-9(11-6)12-8(5-10)13-7/h3-4H,2H2,1H3
InChIKeyXUIFGLISYYTDRV-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile?
The IUPAC name of 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile (CID 166975504) is 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile.
What is the SMILES notation for 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile?
The canonical SMILES for 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile is CCc1ccc2sc(C#N)nc2n1.
What is the InChIKey of 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile?
The InChIKey is XUIFGLISYYTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-2-6-3-4-7-9(11-6)12-8(5-10)13-7/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile?
5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile is sourced from PubChem (CID 166975504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).