5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole

C14H21N3S — CID 106260341

IUPAC5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCCC1CCCc2c1nc1sc(CC(C)C)nn21
InChIInChI=1S/C14H21N3S/c1-4-10-6-5-7-11-13(10)15-14-17(11)16-12(18-14)8-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyBVXXXENCGWILRU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.82
Rot. Bonds3

About 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole

5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (PubChem CID 106260341) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
PubChem CID106260341
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCCC1CCCc2c1nc1sc(CC(C)C)nn21
InChIInChI=1S/C14H21N3S/c1-4-10-6-5-7-11-13(10)15-14-17(11)16-12(18-14)8-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyBVXXXENCGWILRU-UHFFFAOYSA-N
XLogP3.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (CID 106260341) is 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is CCC1CCCc2c1nc1sc(CC(C)C)nn21.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The InChIKey is BVXXXENCGWILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-10-6-5-7-11-13(10)15-14-17(11)16-12(18-14)8-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole has a molecular weight of 263.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 106260341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).