N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C24H29N7S — CID 156845528

IUPACN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N7S/c1-23(2)10-16(11-24(3,4)30-23)31(5)20-9-8-19(28-29-20)18-7-6-17(15-12-26-27-13-15)21-22(18)32-14-25-21/h6-9,12-14,16,30H,10-11H2,1-5H3,(H,26,27)
InChIKeyADEKVKBMJOHZIQ-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.89
Rot. Bonds4

About N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 156845528) has the molecular formula C24H29N7S and a molecular weight of 447.61 g/mol. Its IUPAC name is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID156845528
Molecular FormulaC24H29N7S
Molecular Weight447.61 g/mol
Exact Mass447.22
IUPAC NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N7S/c1-23(2)10-16(11-24(3,4)30-23)31(5)20-9-8-19(28-29-20)18-7-6-17(15-12-26-27-13-15)21-22(18)32-14-25-21/h6-9,12-14,16,30H,10-11H2,1-5H3,(H,26,27)
InChIKeyADEKVKBMJOHZIQ-UHFFFAOYSA-N
XLogP4.89
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 165117224
3-methyl-6-[4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1,3-benzothiazol-7-yl]pyrimidin-4-one
CID 168725119
1-methyl-5-[4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1,3-benzothiazol-7-yl]pyridin-2-one
CID 156845398
6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710667
4-(1H-pyrazol-4-yl)-7-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1,3-benzothiazole
CID 167502570
[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine
CID 167502809
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845512
N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845394
7-[6-(1,7-diazaspiro[3.4]octan-1-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845393
2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598908
5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747413
7-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845418

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 156845528) is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is ADEKVKBMJOHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7S/c1-23(2)10-16(11-24(3,4)30-23)31(5)20-9-8-19(28-29-20)18-7-6-17(15-12-26-27-13-15)21-22(18)32-14-25-21/h6-9,12-14,16,30H,10-11H2,1-5H3,(H,26,27).
What are the key properties of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 447.61 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 156845528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).