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

C18H12N4OS — CID 70864396

IUPAC2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)o1
InChIInChI=1S/C18H12N4OS/c1-10-2-5-15(23-10)17-20-12-4-3-11(8-14(12)21-17)18-22-13-6-7-19-9-16(13)24-18/h2-9H,1H3,(H,20,21)
InChIKeyYYBKQOAHIDKSRV-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.80
Rot. Bonds2

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

2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 70864396) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID70864396
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)o1
InChIInChI=1S/C18H12N4OS/c1-10-2-5-15(23-10)17-20-12-4-3-11(8-14(12)21-17)18-22-13-6-7-19-9-16(13)24-18/h2-9H,1H3,(H,20,21)
InChIKeyYYBKQOAHIDKSRV-UHFFFAOYSA-N
XLogP4.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 70864396) is 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is Cc1ccc(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YYBKQOAHIDKSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c1-10-2-5-15(23-10)17-20-12-4-3-11(8-14(12)21-17)18-22-13-6-7-19-9-16(13)24-18/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 332.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 70864396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).