N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C21H26N8S2 — CID 162492768

IUPACN-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nn3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H26N8S2/c1-20(2)8-13(9-21(3,4)28-20)29(5)19-25-18-17(31-19)24-16(30-18)15-7-6-14(26-27-15)12-10-22-23-11-12/h6-7,10-11,13,28H,8-9H2,1-5H3,(H,22,23)
InChIKeyHFPPRCDYIVGIST-UHFFFAOYSA-N
MW454.63 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 162492768) has the molecular formula C21H26N8S2 and a molecular weight of 454.63 g/mol. Its IUPAC name is N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID162492768
Molecular FormulaC21H26N8S2
Molecular Weight454.63 g/mol
Exact Mass454.17
IUPAC NameN-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nn3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H26N8S2/c1-20(2)8-13(9-21(3,4)28-20)29(5)19-25-18-17(31-19)24-16(30-18)15-7-6-14(26-27-15)12-10-22-23-11-12/h6-7,10-11,13,28H,8-9H2,1-5H3,(H,22,23)
InChIKeyHFPPRCDYIVGIST-UHFFFAOYSA-N
XLogP4.35
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.63
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine with MolForge

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Related Compounds

N-methyl-2-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492651
N-methyl-2-[2-(1H-pyrazol-4-yl)pyrimidin-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492588
N-methyl-2-[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492714
6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 151863109
3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
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
N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
CID 153383782
5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747406
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
5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
CID 162492600
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
2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
CID 162492820

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 162492768) is N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is CN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is HFPPRCDYIVGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8S2/c1-20(2)8-13(9-21(3,4)28-20)29(5)19-25-18-17(31-19)24-16(30-18)15-7-6-14(26-27-15)12-10-22-23-11-12/h6-7,10-11,13,28H,8-9H2,1-5H3,(H,22,23).
What are the key properties of N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 454.63 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 162492768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).