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

C10H13N3S — CID 107646813

IUPAC6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCC1Cc2nc3scnn3c2C(C)C1
InChIInChI=1S/C10H13N3S/c1-6-3-7(2)9-8(4-6)12-10-13(9)11-5-14-10/h5-7H,3-4H2,1-2H3
InChIKeyZLUSOICKMREYBJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.48
Rot. Bonds

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

6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (PubChem CID 107646813) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
PubChem CID107646813
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCC1Cc2nc3scnn3c2C(C)C1
InChIInChI=1S/C10H13N3S/c1-6-3-7(2)9-8(4-6)12-10-13(9)11-5-14-10/h5-7H,3-4H2,1-2H3
InChIKeyZLUSOICKMREYBJ-UHFFFAOYSA-N
XLogP2.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646795
6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
CID 115403443
5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 90267955
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403526
2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303163
5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646715
ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole
CID 142607873
4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 64773701
ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 145275498
6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 71758489
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 64752018
2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 82116989

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The IUPAC name of 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (CID 107646813) is 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The canonical SMILES for 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is CC1Cc2nc3scnn3c2C(C)C1.
What is the InChIKey of 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The InChIKey is ZLUSOICKMREYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-3-7(2)9-8(4-6)12-10-13(9)11-5-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole has a molecular weight of 207.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 107646813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).