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

C22H13N5S — CID 25050763

IUPAC2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc2ncc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cc2c1
InChIInChI=1S/C22H13N5S/c1-2-6-16-13(4-1)10-14(11-24-16)21-25-18-7-3-5-15(20(18)27-21)22-26-17-8-9-23-12-19(17)28-22/h1-12H,(H,25,27)
InChIKeyGFVBFAZHXXDOFJ-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.45
Rot. Bonds2

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

2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 25050763) has the molecular formula C22H13N5S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID25050763
Molecular FormulaC22H13N5S
Molecular Weight379.45 g/mol
Exact Mass379.09
IUPAC Name2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc2ncc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cc2c1
InChIInChI=1S/C22H13N5S/c1-2-6-16-13(4-1)10-14(11-24-16)21-25-18-7-3-5-15(20(18)27-21)22-26-17-8-9-23-12-19(17)28-22/h1-12H,(H,25,27)
InChIKeyGFVBFAZHXXDOFJ-UHFFFAOYSA-N
XLogP5.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine (CID 25050763) is 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine is c1ccc2ncc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)cc2c1.
What is the InChIKey of 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is GFVBFAZHXXDOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5S/c1-2-6-16-13(4-1)10-14(11-24-16)21-25-18-7-3-5-15(20(18)27-21)22-26-17-8-9-23-12-19(17)28-22/h1-12H,(H,25,27).
What are the key properties of 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine?
2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 379.45 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-3-yl-1H-benzimidazol-4-yl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 25050763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).