2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C10H15N3S — CID 58310328

IUPAC2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)c1cn2nc(C(C)C)sc2n1
InChIInChI=1S/C10H15N3S/c1-6(2)8-5-13-10(11-8)14-9(12-13)7(3)4/h5-7H,1-4H3
InChIKeyOUWKSHNQJRRGPL-UHFFFAOYSA-N
MW209.32 g/mol
LogP3.04
Rot. Bonds2

About 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 58310328) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID58310328
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)c1cn2nc(C(C)C)sc2n1
InChIInChI=1S/C10H15N3S/c1-6(2)8-5-13-10(11-8)14-9(12-13)7(3)4/h5-7H,1-4H3
InChIKeyOUWKSHNQJRRGPL-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 58310328) is 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)c1cn2nc(C(C)C)sc2n1.
What is the InChIKey of 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is OUWKSHNQJRRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(2)8-5-13-10(11-8)14-9(12-13)7(3)4/h5-7H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 58310328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).