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

C33H40FN7O2S — CID 150794549

IUPAC6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn3cc(C)nc23)c(OC)c1
InChIInChI=1S/C33H40FN7O2S/c1-19-18-41-30(36-19)26(35-17-20-9-10-23(42-7)13-27(20)43-8)14-25(38-41)21-11-24(34)29-28(12-21)44-31(37-29)40(6)22-15-32(2,3)39-33(4,5)16-22/h9-14,18,22,35,39H,15-17H2,1-8H3
InChIKeyKEOFHKRTHMSDIZ-UHFFFAOYSA-N
MW617.80 g/mol
LogP6.83
Rot. Bonds8

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

6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 150794549) has the molecular formula C33H40FN7O2S and a molecular weight of 617.80 g/mol. Its IUPAC name is 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID150794549
Molecular FormulaC33H40FN7O2S
Molecular Weight617.80 g/mol
Exact Mass617.29
IUPAC Name6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn3cc(C)nc23)c(OC)c1
InChIInChI=1S/C33H40FN7O2S/c1-19-18-41-30(36-19)26(35-17-20-9-10-23(42-7)13-27(20)43-8)14-25(38-41)21-11-24(34)29-28(12-21)44-31(37-29)40(6)22-15-32(2,3)39-33(4,5)16-22/h9-14,18,22,35,39H,15-17H2,1-8H3
InChIKeyKEOFHKRTHMSDIZ-UHFFFAOYSA-N
XLogP6.83
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 150126397
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 151923812
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-N,N,2-trimethylimidazo[1,2-b]pyridazin-8-amine;hydrochloride
CID 153383206
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,5-dimethylpiperazin-1-yl)-4-fluoro-1,3-benzothiazole;hydrochloride
CID 153383443
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888815
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037

Frequently Asked Questions

What is the IUPAC name of 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 150794549) is 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is COc1ccc(CNc2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn3cc(C)nc23)c(OC)c1.
What is the InChIKey of 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is KEOFHKRTHMSDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN7O2S/c1-19-18-41-30(36-19)26(35-17-20-9-10-23(42-7)13-27(20)43-8)14-25(38-41)21-11-24(34)29-28(12-21)44-31(37-29)40(6)22-15-32(2,3)39-33(4,5)16-22/h9-14,18,22,35,39H,15-17H2,1-8H3.
What are the key properties of 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 617.80 g/mol, XLogP of 6.83, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[(2,4-dimethoxyphenyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 150794549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).