[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol

C16H13FN6OS — CID 133487732

IUPAC[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CNc2ccc3nnc(-c4ccccc4F)n3n2)n1
InChIInChI=1S/C16H13FN6OS/c17-12-4-2-1-3-11(12)16-21-20-14-6-5-13(22-23(14)16)18-7-15-19-10(8-24)9-25-15/h1-6,9,24H,7-8H2,(H,18,22)
InChIKeyVLSTZSWHXVFDSB-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.49
Rot. Bonds5

About [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol

[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 133487732) has the molecular formula C16H13FN6OS and a molecular weight of 356.39 g/mol. Its IUPAC name is [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
PubChem CID133487732
Molecular FormulaC16H13FN6OS
Molecular Weight356.39 g/mol
Exact Mass356.09
IUPAC Name[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CNc2ccc3nnc(-c4ccccc4F)n3n2)n1
InChIInChI=1S/C16H13FN6OS/c17-12-4-2-1-3-11(12)16-21-20-14-6-5-13(22-23(14)16)18-7-15-19-10(8-24)9-25-15/h1-6,9,24H,7-8H2,(H,18,22)
InChIKeyVLSTZSWHXVFDSB-UHFFFAOYSA-N
XLogP2.49
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethyl-6-(4-(2-methoxyethyl) piperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763356
(S)-(4-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl)methanol
CID 117763380
(1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidin-3-yl)methanol
CID 117763420
1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidin-3-ol
CID 117763556
(1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl)methanol
CID 117763816
3-(4-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl)propan-1-ol
CID 117764107
(1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl)methanol
CID 117764110
1-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)-N-(2-hydroxyethyl) piperidine-4-carboxamide
CID 117764282
1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-ol
CID 117764575
(1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)pyrrolidin-2-yl)methanol
CID 117764608
(3-((4-(4-Fluorophenyl) thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-2-yl)methanol
CID 117794662
N-(2-ethyl-6-morpholinoimidazo [1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117794939

Frequently Asked Questions

What is the IUPAC name of [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol (CID 133487732) is [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol is OCc1csc(CNc2ccc3nnc(-c4ccccc4F)n3n2)n1.
What is the InChIKey of [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is VLSTZSWHXVFDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6OS/c17-12-4-2-1-3-11(12)16-21-20-14-6-5-13(22-23(14)16)18-7-15-19-10(8-24)9-25-15/h1-6,9,24H,7-8H2,(H,18,22).
What are the key properties of [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
[2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 356.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 133487732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).