4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C25H31FN6OS — CID 151581941

IUPAC4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)nn2cc(C)nc12
InChIInChI=1S/C25H31FN6OS/c1-14-13-32-22(27-14)19(33-7)10-18(29-32)15-8-17(26)21-20(9-15)34-23(28-21)31(6)16-11-24(2,3)30-25(4,5)12-16/h8-10,13,16,30H,11-12H2,1-7H3
InChIKeyQGRKQGKWZJNVEU-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.21
Rot. Bonds4

About 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 151581941) has the molecular formula C25H31FN6OS and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID151581941
Molecular FormulaC25H31FN6OS
Molecular Weight482.63 g/mol
Exact Mass482.23
IUPAC Name4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)nn2cc(C)nc12
InChIInChI=1S/C25H31FN6OS/c1-14-13-32-22(27-14)19(33-7)10-18(29-32)15-8-17(26)21-20(9-15)34-23(28-21)31(6)16-11-24(2,3)30-25(4,5)12-16/h8-10,13,16,30H,11-12H2,1-7H3
InChIKeyQGRKQGKWZJNVEU-UHFFFAOYSA-N
XLogP5.21
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine with MolForge

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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)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 151581941) is 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is COc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)nn2cc(C)nc12.
What is the InChIKey of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QGRKQGKWZJNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6OS/c1-14-13-32-22(27-14)19(33-7)10-18(29-32)15-8-17(26)21-20(9-15)34-23(28-21)31(6)16-11-24(2,3)30-25(4,5)12-16/h8-10,13,16,30H,11-12H2,1-7H3.
What are the key properties of 4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 482.63 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 151581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).