2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol

C24H30N6OS — CID 162433231

IUPAC2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1cn2cc(-c3ccc(-c4cn[nH]c4)cc3O)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6OS/c1-23(2)9-17(10-24(3,4)28-23)29(5)21-14-30-13-19(27-22(30)32-21)18-7-6-15(8-20(18)31)16-11-25-26-12-16/h6-8,11-14,17,28,31H,9-10H2,1-5H3,(H,25,26)
InChIKeyBWZZXDXCPDKWGP-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol

2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 162433231) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID162433231
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC Name2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1cn2cc(-c3ccc(-c4cn[nH]c4)cc3O)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6OS/c1-23(2)9-17(10-24(3,4)28-23)29(5)21-14-30-13-19(27-22(30)32-21)18-7-6-15(8-20(18)31)16-11-25-26-12-16/h6-8,11-14,17,28,31H,9-10H2,1-5H3,(H,25,26)
InChIKeyBWZZXDXCPDKWGP-UHFFFAOYSA-N
XLogP4.90
TPSA81.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol (CID 162433231) is 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol is CN(c1cn2cc(-c3ccc(-c4cn[nH]c4)cc3O)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is BWZZXDXCPDKWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-23(2)9-17(10-24(3,4)28-23)29(5)21-14-30-13-19(27-22(30)32-21)18-7-6-15(8-20(18)31)16-11-25-26-12-16/h6-8,11-14,17,28,31H,9-10H2,1-5H3,(H,25,26).
What are the key properties of 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 450.61 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 162433231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).