5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

C19H25N7S — CID 155975009

IUPAC5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(c4nc(C5CC5)ns4)CC3)ccc2n1
InChIInChI=1S/C19H25N7S/c1-19(2,3)14-12-26-15(20-14)6-7-16(22-26)24-8-10-25(11-9-24)18-21-17(23-27-18)13-4-5-13/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyAQEDKJVKZWQVMN-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.08
Rot. Bonds3

About 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 155975009) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID155975009
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(c4nc(C5CC5)ns4)CC3)ccc2n1
InChIInChI=1S/C19H25N7S/c1-19(2,3)14-12-26-15(20-14)6-7-16(22-26)24-8-10-25(11-9-24)18-21-17(23-27-18)13-4-5-13/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyAQEDKJVKZWQVMN-UHFFFAOYSA-N
XLogP3.08
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (CID 155975009) is 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is CC(C)(C)c1cn2nc(N3CCN(c4nc(C5CC5)ns4)CC3)ccc2n1.
What is the InChIKey of 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is AQEDKJVKZWQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-19(2,3)14-12-26-15(20-14)6-7-16(22-26)24-8-10-25(11-9-24)18-21-17(23-27-18)13-4-5-13/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 383.53 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 155975009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).