2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine

C16H20BrN5OS — CID 170787808

IUPAC2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine
SMILESCN1CCCCC1.Nc1nc2nn(-c3ccc(Br)cc3O)cc2s1
InChIInChI=1S/C10H7BrN4OS.C6H13N/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8;1-7-5-3-2-4-6-7/h1-4,16H,(H2,12,13,14);2-6H2,1H3
InChIKeyVGFWXNXEPJDKGE-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.63
Rot. Bonds1

About 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine

2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine (PubChem CID 170787808) has the molecular formula C16H20BrN5OS and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine.

Molecular Properties

Compound Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine
PubChem CID170787808
Molecular FormulaC16H20BrN5OS
Molecular Weight410.34 g/mol
Exact Mass409.06
IUPAC Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine
SMILESCN1CCCCC1.Nc1nc2nn(-c3ccc(Br)cc3O)cc2s1
InChIInChI=1S/C10H7BrN4OS.C6H13N/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8;1-7-5-3-2-4-6-7/h1-4,16H,(H2,12,13,14);2-6H2,1H3
InChIKeyVGFWXNXEPJDKGE-UHFFFAOYSA-N
XLogP3.63
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine?
The IUPAC name of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine (CID 170787808) is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine.
What is the SMILES notation for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine?
The canonical SMILES for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine is CN1CCCCC1.Nc1nc2nn(-c3ccc(Br)cc3O)cc2s1.
What is the InChIKey of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine?
The InChIKey is VGFWXNXEPJDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4OS.C6H13N/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8;1-7-5-3-2-4-6-7/h1-4,16H,(H2,12,13,14);2-6H2,1H3.
What are the key properties of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine?
2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine has a molecular weight of 410.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol;1-methylpiperidine is sourced from PubChem (CID 170787808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).