3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole

C11H9N3OS — CID 130383084

IUPAC3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ncsc2c1
InChIInChI=1S/C11H9N3OS/c1-6-10(7(2)15-14-6)8-3-9-11(12-4-8)13-5-16-9/h3-5H,1-2H3
InChIKeyCSYDGWBEDDQHSE-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.96
Rot. Bonds1

About 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole

3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole (PubChem CID 130383084) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
PubChem CID130383084
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ncsc2c1
InChIInChI=1S/C11H9N3OS/c1-6-10(7(2)15-14-6)8-3-9-11(12-4-8)13-5-16-9/h3-5H,1-2H3
InChIKeyCSYDGWBEDDQHSE-UHFFFAOYSA-N
XLogP2.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole (CID 130383084) is 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole is Cc1noc(C)c1-c1cnc2ncsc2c1.
What is the InChIKey of 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole?
The InChIKey is CSYDGWBEDDQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-10(7(2)15-14-6)8-3-9-11(12-4-8)13-5-16-9/h3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole?
3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole has a molecular weight of 231.28 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 130383084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).