4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole

C11H11N3S — CID 166252114

IUPAC4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole
SMILESc1cnnc(-c2nc(C3CCC3)cs2)c1
InChIInChI=1S/C11H11N3S/c1-3-8(4-1)10-7-15-11(13-10)9-5-2-6-12-14-9/h2,5-8H,1,3-4H2
InChIKeyAVPYASRISVBTBD-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.87
Rot. Bonds2

About 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole

4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole (PubChem CID 166252114) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole
PubChem CID166252114
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole
SMILESc1cnnc(-c2nc(C3CCC3)cs2)c1
InChIInChI=1S/C11H11N3S/c1-3-8(4-1)10-7-15-11(13-10)9-5-2-6-12-14-9/h2,5-8H,1,3-4H2
InChIKeyAVPYASRISVBTBD-UHFFFAOYSA-N
XLogP2.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole?
The IUPAC name of 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole (CID 166252114) is 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole?
The canonical SMILES for 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole is c1cnnc(-c2nc(C3CCC3)cs2)c1.
What is the InChIKey of 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole?
The InChIKey is AVPYASRISVBTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-3-8(4-1)10-7-15-11(13-10)9-5-2-6-12-14-9/h2,5-8H,1,3-4H2.
What are the key properties of 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole?
4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole has a molecular weight of 217.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole is sourced from PubChem (CID 166252114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).