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

C22H29ClN8S2 — CID 162492714

About 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

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 (PubChem CID 162492714) has the molecular formula C22H29ClN8S2 and a molecular weight of 505.12 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162492714
• Molecular Formula: C22H29ClN8S2
• Molecular Weight: 505.12 g/mol
• Exact Mass: 504.16
• IUPAC Name: 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
• SMILES: CN(c1nc2sc(-c3cnc(-c4cnn(C)c4)cn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl
• InChI: InChI=1S/C22H28N8S2.ClH/c1-21(2)7-14(8-22(3,4)28-21)30(6)20-27-19-18(32-20)26-17(31-19)16-11-23-15(10-24-16)13-9-25-29(5)12-13;/h9-12,14,28H,7-8H2,1-6H3;1H
• InChIKey: CYBHFHQWUCZTMF-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.12
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN(c1nc2sc(-c3cnc(-c4cnn(C)c4)cn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl.

What is the InChIKey of 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?

The InChIKey is CYBHFHQWUCZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8S2.ClH/c1-21(2)7-14(8-22(3,4)28-21)30(6)20-27-19-18(32-20)26-17(31-19)16-11-23-15(10-24-16)13-9-25-29(5)12-13;/h9-12,14,28H,7-8H2,1-6H3;1H.

What are the key properties of 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?

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 has a molecular weight of 505.12 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).