6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C14H22N4S — CID 17484475

IUPAC6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCCCN1c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C14H22N4S/c1-10-7-5-6-8-17(10)13-16-18-9-11(14(2,3)4)15-12(18)19-13/h9-10H,5-8H2,1-4H3
InChIKeyVCZBYHQTIYQQGD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.47
Rot. Bonds1

About 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 17484475) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID17484475
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCCCN1c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C14H22N4S/c1-10-7-5-6-8-17(10)13-16-18-9-11(14(2,3)4)15-12(18)19-13/h9-10H,5-8H2,1-4H3
InChIKeyVCZBYHQTIYQQGD-UHFFFAOYSA-N
XLogP3.47
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 17484475) is 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is CC1CCCCN1c1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VCZBYHQTIYQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-7-5-6-8-17(10)13-16-18-9-11(14(2,3)4)15-12(18)19-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 278.42 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 17484475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).