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

C22H28ClN7S2 — CID 162492651

IUPACN-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
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)cn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C22H27N7S2.ClH/c1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)16-7-6-13(10-23-16)14-11-24-25-12-14;/h6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);1H
InChIKeyPOXUYAQRFQLDII-UHFFFAOYSA-N
MW490.10 g/mol
LogP5.37
Rot. Bonds4

About 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

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 (PubChem CID 162492651) has the molecular formula C22H28ClN7S2 and a molecular weight of 490.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID162492651
Molecular FormulaC22H28ClN7S2
Molecular Weight490.10 g/mol
Exact Mass489.15
IUPAC NameN-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
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)cn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C22H27N7S2.ClH/c1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)16-7-6-13(10-23-16)14-11-24-25-12-14;/h6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);1H
InChIKeyPOXUYAQRFQLDII-UHFFFAOYSA-N
XLogP5.37
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.10
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1nc2sc(-c3ccc(-c4cn[nH]c4)cn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl.
What is the InChIKey of 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?
The InChIKey is POXUYAQRFQLDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7S2.ClH/c1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)16-7-6-13(10-23-16)14-11-24-25-12-14;/h6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);1H.
What are the key properties of 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?
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 has a molecular weight of 490.10 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162492651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).