N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine

C17H16FN5S — CID 71278428

IUPACN-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine
SMILESFC1CC(CNc2ccc(-c3nccs3)nn2)(c2ccccn2)C1
InChIInChI=1S/C17H16FN5S/c18-12-9-17(10-12,14-3-1-2-6-19-14)11-21-15-5-4-13(22-23-15)16-20-7-8-24-16/h1-8,12H,9-11H2,(H,21,23)
InChIKeyTZOOGYSTHHYXAJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine

N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine (PubChem CID 71278428) has the molecular formula C17H16FN5S and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine
PubChem CID71278428
Molecular FormulaC17H16FN5S
Molecular Weight341.42 g/mol
Exact Mass341.11
IUPAC NameN-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine
SMILESFC1CC(CNc2ccc(-c3nccs3)nn2)(c2ccccn2)C1
InChIInChI=1S/C17H16FN5S/c18-12-9-17(10-12,14-3-1-2-6-19-14)11-21-15-5-4-13(22-23-15)16-20-7-8-24-16/h1-8,12H,9-11H2,(H,21,23)
InChIKeyTZOOGYSTHHYXAJ-UHFFFAOYSA-N
XLogP3.48
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine?
The IUPAC name of N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine (CID 71278428) is N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine is FC1CC(CNc2ccc(-c3nccs3)nn2)(c2ccccn2)C1.
What is the InChIKey of N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine?
The InChIKey is TZOOGYSTHHYXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5S/c18-12-9-17(10-12,14-3-1-2-6-19-14)11-21-15-5-4-13(22-23-15)16-20-7-8-24-16/h1-8,12H,9-11H2,(H,21,23).
What are the key properties of N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine?
N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine has a molecular weight of 341.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 71278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).