6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C20H12F2N6S — CID 108772361

IUPAC6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESFc1ccc(-c2ccc(Nc3nc4scc(-c5ccc(F)cc5)n4n3)nn2)cc1
InChIInChI=1S/C20H12F2N6S/c21-14-5-1-12(2-6-14)16-9-10-18(26-25-16)23-19-24-20-28(27-19)17(11-29-20)13-3-7-15(22)8-4-13/h1-11H,(H,23,26,27)
InChIKeyYJOKCUDFSKFSQN-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.94
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772361) has the molecular formula C20H12F2N6S and a molecular weight of 406.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772361
Molecular FormulaC20H12F2N6S
Molecular Weight406.42 g/mol
Exact Mass406.08
IUPAC Name6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESFc1ccc(-c2ccc(Nc3nc4scc(-c5ccc(F)cc5)n4n3)nn2)cc1
InChIInChI=1S/C20H12F2N6S/c21-14-5-1-12(2-6-14)16-9-10-18(26-25-16)23-19-24-20-28(27-19)17(11-29-20)13-3-7-15(22)8-4-13/h1-11H,(H,23,26,27)
InChIKeyYJOKCUDFSKFSQN-UHFFFAOYSA-N
XLogP4.94
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]phenyl]acetamide
CID 108772640
6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772445
6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772366
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776575
methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
CID 108772596
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide
CID 108752199
2-chloroethyl N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728333
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772361) is 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Fc1ccc(-c2ccc(Nc3nc4scc(-c5ccc(F)cc5)n4n3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is YJOKCUDFSKFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N6S/c21-14-5-1-12(2-6-14)16-9-10-18(26-25-16)23-19-24-20-28(27-19)17(11-29-20)13-3-7-15(22)8-4-13/h1-11H,(H,23,26,27).
What are the key properties of 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 406.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).