4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole

C18H16FN7S — CID 133372349

IUPAC4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2csc(N3CCN(c4ccc5nncn5n4)CC3)n2)cc1
InChIInChI=1S/C18H16FN7S/c19-14-3-1-13(2-4-14)15-11-27-18(21-15)25-9-7-24(8-10-25)17-6-5-16-22-20-12-26(16)23-17/h1-6,11-12H,7-10H2
InChIKeyORQFEBARDQAJDD-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.71
Rot. Bonds3

About 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole

4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 133372349) has the molecular formula C18H16FN7S and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID133372349
Molecular FormulaC18H16FN7S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2csc(N3CCN(c4ccc5nncn5n4)CC3)n2)cc1
InChIInChI=1S/C18H16FN7S/c19-14-3-1-13(2-4-14)15-11-27-18(21-15)25-9-7-24(8-10-25)17-6-5-16-22-20-12-26(16)23-17/h1-6,11-12H,7-10H2
InChIKeyORQFEBARDQAJDD-UHFFFAOYSA-N
XLogP2.71
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole (CID 133372349) is 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole is Fc1ccc(-c2csc(N3CCN(c4ccc5nncn5n4)CC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is ORQFEBARDQAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7S/c19-14-3-1-13(2-4-14)15-11-27-18(21-15)25-9-7-24(8-10-25)17-6-5-16-22-20-12-26(16)23-17/h1-6,11-12H,7-10H2.
What are the key properties of 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 381.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133372349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).