4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

C20H18FN5OS — CID 152647731

IUPAC4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
SMILESCOc1cc(-c2cc(F)c3nc(C4=CCNCC4)sc3c2)nn2cc(C)nc12
InChIInChI=1S/C20H18FN5OS/c1-11-10-26-19(23-11)16(27-2)9-15(25-26)13-7-14(21)18-17(8-13)28-20(24-18)12-3-5-22-6-4-12/h3,7-10,22H,4-6H2,1-2H3
InChIKeyZGXDSNVUWCVNLP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.84
Rot. Bonds3

About 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (PubChem CID 152647731) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
PubChem CID152647731
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
SMILESCOc1cc(-c2cc(F)c3nc(C4=CCNCC4)sc3c2)nn2cc(C)nc12
InChIInChI=1S/C20H18FN5OS/c1-11-10-26-19(23-11)16(27-2)9-15(25-26)13-7-14(21)18-17(8-13)28-20(24-18)12-3-5-22-6-4-12/h3,7-10,22H,4-6H2,1-2H3
InChIKeyZGXDSNVUWCVNLP-UHFFFAOYSA-N
XLogP3.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (CID 152647731) is 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is COc1cc(-c2cc(F)c3nc(C4=CCNCC4)sc3c2)nn2cc(C)nc12.
What is the InChIKey of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The InChIKey is ZGXDSNVUWCVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-11-10-26-19(23-11)16(27-2)9-15(25-26)13-7-14(21)18-17(8-13)28-20(24-18)12-3-5-22-6-4-12/h3,7-10,22H,4-6H2,1-2H3.
What are the key properties of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole has a molecular weight of 395.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 152647731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).