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

C14H21N3S — CID 106260068

IUPAC5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCC(C)Cc1nn2c3c(nc2s1)C(C)C(C)CC3
InChIInChI=1S/C14H21N3S/c1-8(2)7-12-16-17-11-6-5-9(3)10(4)13(11)15-14(17)18-12/h8-10H,5-7H2,1-4H3
InChIKeyHVZPSXXZBZGUOL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.68
Rot. Bonds2

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

5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (PubChem CID 106260068) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
PubChem CID106260068
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCC(C)Cc1nn2c3c(nc2s1)C(C)C(C)CC3
InChIInChI=1S/C14H21N3S/c1-8(2)7-12-16-17-11-6-5-9(3)10(4)13(11)15-14(17)18-12/h8-10H,5-7H2,1-4H3
InChIKeyHVZPSXXZBZGUOL-UHFFFAOYSA-N
XLogP3.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (CID 106260068) is 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is CC(C)Cc1nn2c3c(nc2s1)C(C)C(C)CC3.
What is the InChIKey of 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The InChIKey is HVZPSXXZBZGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-8(2)7-12-16-17-11-6-5-9(3)10(4)13(11)15-14(17)18-12/h8-10H,5-7H2,1-4H3.
What are the key properties of 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
5,6-dimethyl-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 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 106260068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).