2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine

C21H12N6S — CID 25050936

IUPAC2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc2nc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cnc2c1
InChIInChI=1S/C21H12N6S/c1-2-6-14-13(5-1)23-10-17(24-14)20-25-16-7-3-4-12(19(16)27-20)21-26-15-8-9-22-11-18(15)28-21/h1-11H,(H,25,27)
InChIKeyMCRVPLGDRLBKMQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.84
Rot. Bonds2

About 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine

2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 25050936) has the molecular formula C21H12N6S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID25050936
Molecular FormulaC21H12N6S
Molecular Weight380.44 g/mol
Exact Mass380.08
IUPAC Name2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc2nc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cnc2c1
InChIInChI=1S/C21H12N6S/c1-2-6-14-13(5-1)23-10-17(24-14)20-25-16-7-3-4-12(19(16)27-20)21-26-15-8-9-22-11-18(15)28-21/h1-11H,(H,25,27)
InChIKeyMCRVPLGDRLBKMQ-UHFFFAOYSA-N
XLogP4.84
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine (CID 25050936) is 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine is c1ccc2nc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cnc2c1.
What is the InChIKey of 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is MCRVPLGDRLBKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N6S/c1-2-6-14-13(5-1)23-10-17(24-14)20-25-16-7-3-4-12(19(16)27-20)21-26-15-8-9-22-11-18(15)28-21/h1-11H,(H,25,27).
What are the key properties of 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 380.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinoxalin-2-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 25050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).