4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole

C19H18FN5S — CID 150903179

IUPAC4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C19H18FN5S/c1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3
InChIKeyLAKUYXWIIQRYKB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.92
Rot. Bonds2

About 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole

4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 150903179) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID150903179
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C19H18FN5S/c1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3
InChIKeyLAKUYXWIIQRYKB-UHFFFAOYSA-N
XLogP3.92
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole (CID 150903179) is 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is LAKUYXWIIQRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3.
What are the key properties of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 367.45 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 150903179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).