2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine

C22H10N8S3 — CID 23391303

IUPAC2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESc1cnc2sc(-c3cc(-c4nc5nccnc5s4)cc(-c4nc5nccnc5s4)c3)nc2c1
InChIInChI=1S/C22H10N8S3/c1-2-14-20(25-3-1)31-17(28-14)11-8-12(18-29-15-21(32-18)26-6-4-23-15)10-13(9-11)19-30-16-22(33-19)27-7-5-24-16/h1-10H
InChIKeyMLJKIQGXOPYJRO-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.49
Rot. Bonds3

About 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine

2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine (PubChem CID 23391303) has the molecular formula C22H10N8S3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine
PubChem CID23391303
Molecular FormulaC22H10N8S3
Molecular Weight482.58 g/mol
Exact Mass482.02
IUPAC Name2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESc1cnc2sc(-c3cc(-c4nc5nccnc5s4)cc(-c4nc5nccnc5s4)c3)nc2c1
InChIInChI=1S/C22H10N8S3/c1-2-14-20(25-3-1)31-17(28-14)11-8-12(18-29-15-21(32-18)26-6-4-23-15)10-13(9-11)19-30-16-22(33-19)27-7-5-24-16/h1-10H
InChIKeyMLJKIQGXOPYJRO-UHFFFAOYSA-N
XLogP5.49
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500482.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The IUPAC name of 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine (CID 23391303) is 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine.
What is the SMILES notation for 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The canonical SMILES for 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine is c1cnc2sc(-c3cc(-c4nc5nccnc5s4)cc(-c4nc5nccnc5s4)c3)nc2c1.
What is the InChIKey of 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The InChIKey is MLJKIQGXOPYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N8S3/c1-2-14-20(25-3-1)31-17(28-14)11-8-12(18-29-15-21(32-18)26-6-4-23-15)10-13(9-11)19-30-16-22(33-19)27-7-5-24-16/h1-10H.
What are the key properties of 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine has a molecular weight of 482.58 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine is sourced from PubChem (CID 23391303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).