3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole

C18H25N5OS — CID 155974727

IUPAC3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1cc(OCC2CCN(c3nc(C4CC4)ns3)CC2)nnc1C
InChIInChI=1S/C18H25N5OS/c1-3-14-10-16(21-20-12(14)2)24-11-13-6-8-23(9-7-13)18-19-17(22-25-18)15-4-5-15/h10,13,15H,3-9,11H2,1-2H3
InChIKeyGUXUCWAEGUZITK-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.37
Rot. Bonds6

About 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 155974727) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID155974727
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1cc(OCC2CCN(c3nc(C4CC4)ns3)CC2)nnc1C
InChIInChI=1S/C18H25N5OS/c1-3-14-10-16(21-20-12(14)2)24-11-13-6-8-23(9-7-13)18-19-17(22-25-18)15-4-5-15/h10,13,15H,3-9,11H2,1-2H3
InChIKeyGUXUCWAEGUZITK-UHFFFAOYSA-N
XLogP3.37
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole (CID 155974727) is 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole is CCc1cc(OCC2CCN(c3nc(C4CC4)ns3)CC2)nnc1C.
What is the InChIKey of 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is GUXUCWAEGUZITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-14-10-16(21-20-12(14)2)24-11-13-6-8-23(9-7-13)18-19-17(22-25-18)15-4-5-15/h10,13,15H,3-9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 359.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155974727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).