3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H13FN6OS — CID 133443578

IUPAC3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NCc3csc(-c4ccco4)n3)nn12
InChIInChI=1S/C19H13FN6OS/c20-14-5-2-1-4-13(14)18-24-23-17-8-7-16(25-26(17)18)21-10-12-11-28-19(22-12)15-6-3-9-27-15/h1-9,11H,10H2,(H,21,25)
InChIKeyUIUHMBVSKIKRHA-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.26
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133443578) has the molecular formula C19H13FN6OS and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133443578
Molecular FormulaC19H13FN6OS
Molecular Weight392.42 g/mol
Exact Mass392.09
IUPAC Name3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NCc3csc(-c4ccco4)n3)nn12
InChIInChI=1S/C19H13FN6OS/c20-14-5-2-1-4-13(14)18-24-23-17-8-7-16(25-26(17)18)21-10-12-11-28-19(22-12)15-6-3-9-27-15/h1-9,11H,10H2,(H,21,25)
InChIKeyUIUHMBVSKIKRHA-UHFFFAOYSA-N
XLogP4.26
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 134142435
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
4-(Furan-2-yl)-12-methylsulfanyl-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10884000
7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 20770635
N-(2-Furylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}amine
CID 20901125
5-Thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 654450
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898
N-(2-furylmethyl)-2-{[3-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}acetamide
CID 3235860
2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3235873
2-{[3-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(2-furylmethyl)acetamide
CID 3238499
N-(2-furanylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide
CID 3239237

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133443578) is 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NCc3csc(-c4ccco4)n3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is UIUHMBVSKIKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6OS/c20-14-5-2-1-4-13(14)18-24-23-17-8-7-16(25-26(17)18)21-10-12-11-28-19(22-12)15-6-3-9-27-15/h1-9,11H,10H2,(H,21,25).
What are the key properties of 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 392.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133443578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).