1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole

C13H13N3OS — CID 23303100

IUPAC1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESc1ccc2c(c1)nc1snc(OC3CCCC3)n12
InChIInChI=1S/C13H13N3OS/c1-2-6-9(5-1)17-12-15-18-13-14-10-7-3-4-8-11(10)16(12)13/h3-4,7-9H,1-2,5-6H2
InChIKeyXOURTYXBSAPMCT-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.27
Rot. Bonds2

About 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole

1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole (PubChem CID 23303100) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole.

Molecular Properties

Compound Name1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole
PubChem CID23303100
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESc1ccc2c(c1)nc1snc(OC3CCCC3)n12
InChIInChI=1S/C13H13N3OS/c1-2-6-9(5-1)17-12-15-18-13-14-10-7-3-4-8-11(10)16(12)13/h3-4,7-9H,1-2,5-6H2
InChIKeyXOURTYXBSAPMCT-UHFFFAOYSA-N
XLogP3.27
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The IUPAC name of 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole (CID 23303100) is 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole.
What is the SMILES notation for 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The canonical SMILES for 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole is c1ccc2c(c1)nc1snc(OC3CCCC3)n12.
What is the InChIKey of 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The InChIKey is XOURTYXBSAPMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-6-9(5-1)17-12-15-18-13-14-10-7-3-4-8-11(10)16(12)13/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole has a molecular weight of 259.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole is sourced from PubChem (CID 23303100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).