6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine

C22H25FN6S — CID 150266019

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N(C)C5CCN[C@@H](C)C5)sc4c3)cc(C)c2n1
InChIInChI=1S/C22H25FN6S/c1-12-7-18(27-29-11-14(3)25-21(12)29)15-9-17(23)20-19(10-15)30-22(26-20)28(4)16-5-6-24-13(2)8-16/h7,9-11,13,16,24H,5-6,8H2,1-4H3/t13-,16?/m0/s1
InChIKeyGCOAYGMDOCKRRV-KNVGNIICSA-N
MW424.55 g/mol
LogP4.34
Rot. Bonds3

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 150266019) has the molecular formula C22H25FN6S and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine
PubChem CID150266019
Molecular FormulaC22H25FN6S
Molecular Weight424.55 g/mol
Exact Mass424.18
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N(C)C5CCN[C@@H](C)C5)sc4c3)cc(C)c2n1
InChIInChI=1S/C22H25FN6S/c1-12-7-18(27-29-11-14(3)25-21(12)29)15-9-17(23)20-19(10-15)30-22(26-20)28(4)16-5-6-24-13(2)8-16/h7,9-11,13,16,24H,5-6,8H2,1-4H3/t13-,16?/m0/s1
InChIKeyGCOAYGMDOCKRRV-KNVGNIICSA-N
XLogP4.34
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine (CID 150266019) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCN[C@@H](C)C5)sc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine?
The InChIKey is GCOAYGMDOCKRRV-KNVGNIICSA-N. The full InChI is InChI=1S/C22H25FN6S/c1-12-7-18(27-29-11-14(3)25-21(12)29)15-9-17(23)20-19(10-15)30-22(26-20)28(4)16-5-6-24-13(2)8-16/h7,9-11,13,16,24H,5-6,8H2,1-4H3/t13-,16?/m0/s1.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 424.55 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-[(2S)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 150266019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).