6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

C8H9N3S — CID 107646795

IUPAC6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(C2CC2)nc2scnn12
InChIInChI=1S/C8H9N3S/c1-5-7(6-2-3-6)10-8-11(5)9-4-12-8/h4,6H,2-3H2,1H3
InChIKeyQPFLLIOXYMZEMJ-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.98
Rot. Bonds1

About 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646795) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646795
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(C2CC2)nc2scnn12
InChIInChI=1S/C8H9N3S/c1-5-7(6-2-3-6)10-8-11(5)9-4-12-8/h4,6H,2-3H2,1H3
InChIKeyQPFLLIOXYMZEMJ-UHFFFAOYSA-N
XLogP1.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 90267955
6,8-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
CID 107646813
10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085614
6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83085504
4-(2-cyclopropyl-3-methylimidazo[1,2-b]pyridazin-8-yl)morpholine
CID 130392161
6-cyclopropyl-5-ethylimidazo[2,1-b][1,3]thiazole
CID 130512598
2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 130503537
2-cyclopropyl-7-fluoro-3-methylimidazo[1,2-a]pyridine
CID 89404588
2-cyclopropyl-8-fluoro-3-methylimidazo[1,2-a]pyridine
CID 89404565
5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646715
4-methyl-3-thia-5-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene
CID 58266970
7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 60690141

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646795) is 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1c(C2CC2)nc2scnn12.
What is the InChIKey of 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QPFLLIOXYMZEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-7(6-2-3-6)10-8-11(5)9-4-12-8/h4,6H,2-3H2,1H3.
What are the key properties of 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 179.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).