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

C9H6N2S — CID 658562

IUPAC[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1sccn12
InChIInChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h1-6H
InChIKeyIHCQWURUZRYCIU-UHFFFAOYSA-N
MW174.23 g/mol
LogP2.55
Rot. Bonds

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

[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 658562) has the molecular formula C9H6N2S and a molecular weight of 174.23 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID658562
Molecular FormulaC9H6N2S
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Name[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1sccn12
InChIInChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h1-6H
InChIKeyIHCQWURUZRYCIU-UHFFFAOYSA-N
XLogP2.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of [1,3]thiazolo[3,2-a]benzimidazole (CID 658562) is [1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for [1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for [1,3]thiazolo[3,2-a]benzimidazole is c1ccc2c(c1)nc1sccn12.
What is the InChIKey of [1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is IHCQWURUZRYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h1-6H.
What are the key properties of [1,3]thiazolo[3,2-a]benzimidazole?
[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 174.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 658562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).