6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole

C8H11N3S — CID 21050963

IUPAC6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2ncsc2n1
InChIInChI=1S/C8H11N3S/c1-8(2,3)6-4-11-7(10-6)12-5-9-11/h4-5H,1-3H3
InChIKeyQPNLUEIMMDGVFB-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.09
Rot. Bonds

About 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole

6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 21050963) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID21050963
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2ncsc2n1
InChIInChI=1S/C8H11N3S/c1-8(2,3)6-4-11-7(10-6)12-5-9-11/h4-5H,1-3H3
InChIKeyQPNLUEIMMDGVFB-UHFFFAOYSA-N
XLogP2.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole (CID 21050963) is 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole is CC(C)(C)c1cn2ncsc2n1.
What is the InChIKey of 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QPNLUEIMMDGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-8(2,3)6-4-11-7(10-6)12-5-9-11/h4-5H,1-3H3.
What are the key properties of 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 21050963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).