2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole

C28H18N6S2 — CID 139189474

IUPAC2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cn3c(nc4ccccc43)s2)nc1.c1ccc(-c2cn3c(nc4ccccc43)s2)nc1
InChIInChI=1S/2C14H9N3S/c2*1-2-7-12-10(5-1)16-14-17(12)9-13(18-14)11-6-3-4-8-15-11/h2*1-9H
InChIKeyFUFIZHDBQZEVNK-UHFFFAOYSA-N
MW502.63 g/mol
LogP7.22
Rot. Bonds2

About 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole

2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 139189474) has the molecular formula C28H18N6S2 and a molecular weight of 502.63 g/mol. Its IUPAC name is 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID139189474
Molecular FormulaC28H18N6S2
Molecular Weight502.63 g/mol
Exact Mass502.10
IUPAC Name2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cn3c(nc4ccccc43)s2)nc1.c1ccc(-c2cn3c(nc4ccccc43)s2)nc1
InChIInChI=1S/2C14H9N3S/c2*1-2-7-12-10(5-1)16-14-17(12)9-13(18-14)11-6-3-4-8-15-11/h2*1-9H
InChIKeyFUFIZHDBQZEVNK-UHFFFAOYSA-N
XLogP7.22
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole (CID 139189474) is 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole is c1ccc(-c2cn3c(nc4ccccc43)s2)nc1.c1ccc(-c2cn3c(nc4ccccc43)s2)nc1.
What is the InChIKey of 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is FUFIZHDBQZEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9N3S/c2*1-2-7-12-10(5-1)16-14-17(12)9-13(18-14)11-6-3-4-8-15-11/h2*1-9H.
What are the key properties of 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole?
2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 502.63 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 139189474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).