2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C9H13N3S — CID 20664561

IUPAC2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C(C)C)cnc2s1
InChIInChI=1S/C9H13N3S/c1-4-8-11-12-7(6(2)3)5-10-9(12)13-8/h5-6H,4H2,1-3H3
InChIKeyYFLOBEXZASXXBJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.48
Rot. Bonds2

About 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 20664561) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID20664561
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C(C)C)cnc2s1
InChIInChI=1S/C9H13N3S/c1-4-8-11-12-7(6(2)3)5-10-9(12)13-8/h5-6H,4H2,1-3H3
InChIKeyYFLOBEXZASXXBJ-UHFFFAOYSA-N
XLogP2.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 20664561) is 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2c(C(C)C)cnc2s1.
What is the InChIKey of 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is YFLOBEXZASXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-4-8-11-12-7(6(2)3)5-10-9(12)13-8/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 20664561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).