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

C18H8N6OS2 — CID 134598633

IUPAC2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2sc(-c3cnc4nc(-c5ccc6scnc6n5)oc4c3)nc2c1
InChIInChI=1S/C18H8N6OS2/c1-2-11-18(19-5-1)27-17(23-11)9-6-12-14(20-7-9)24-16(25-12)10-3-4-13-15(22-10)21-8-26-13/h1-8H
InChIKeyINBOJZPQQGHTTN-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.57
Rot. Bonds2

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

2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 134598633) has the molecular formula C18H8N6OS2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID134598633
Molecular FormulaC18H8N6OS2
Molecular Weight388.44 g/mol
Exact Mass388.02
IUPAC Name2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2sc(-c3cnc4nc(-c5ccc6scnc6n5)oc4c3)nc2c1
InChIInChI=1S/C18H8N6OS2/c1-2-11-18(19-5-1)27-17(23-11)9-6-12-14(20-7-9)24-16(25-12)10-3-4-13-15(22-10)21-8-26-13/h1-8H
InChIKeyINBOJZPQQGHTTN-UHFFFAOYSA-N
XLogP4.57
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 134598633) is 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc2sc(-c3cnc4nc(-c5ccc6scnc6n5)oc4c3)nc2c1.
What is the InChIKey of 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is INBOJZPQQGHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N6OS2/c1-2-11-18(19-5-1)27-17(23-11)9-6-12-14(20-7-9)24-16(25-12)10-3-4-13-15(22-10)21-8-26-13/h1-8H.
What are the key properties of 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 388.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134598633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).