6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

C7H10N4S — CID 177143990

IUPAC6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)c1nc2scnn2c1N
InChIInChI=1S/C7H10N4S/c1-4(2)5-6(8)11-7(10-5)12-3-9-11/h3-4H,8H2,1-2H3
InChIKeyYTFSVSYGJXYQJR-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.50
Rot. Bonds1

About 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 177143990) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID177143990
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)c1nc2scnn2c1N
InChIInChI=1S/C7H10N4S/c1-4(2)5-6(8)11-7(10-5)12-3-9-11/h3-4H,8H2,1-2H3
InChIKeyYTFSVSYGJXYQJR-UHFFFAOYSA-N
XLogP1.50
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 177143990) is 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)c1nc2scnn2c1N.
What is the InChIKey of 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is YTFSVSYGJXYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-4(2)5-6(8)11-7(10-5)12-3-9-11/h3-4H,8H2,1-2H3.
What are the key properties of 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 182.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 177143990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).