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

C10H7BrN4OS — CID 170787809

IUPAC2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol
SMILESNc1nc2nn(-c3ccc(Br)cc3O)cc2s1
InChIInChI=1S/C10H7BrN4OS/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8/h1-4,16H,(H2,12,13,14)
InChIKeyPBLRMRREDINBDT-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.53
Rot. Bonds1

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

2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol (PubChem CID 170787809) has the molecular formula C10H7BrN4OS and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol.

Molecular Properties

Compound Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol
PubChem CID170787809
Molecular FormulaC10H7BrN4OS
Molecular Weight311.16 g/mol
Exact Mass309.95
IUPAC Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol
SMILESNc1nc2nn(-c3ccc(Br)cc3O)cc2s1
InChIInChI=1S/C10H7BrN4OS/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8/h1-4,16H,(H2,12,13,14)
InChIKeyPBLRMRREDINBDT-UHFFFAOYSA-N
XLogP2.53
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 170787718
CID 170787718
CID 91157825
CID 91157825
CID 170787808
CID 170787808
CID 174306242
CID 174306242

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol?
The IUPAC name of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol (CID 170787809) is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol.
What is the SMILES notation for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol?
The canonical SMILES for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol is Nc1nc2nn(-c3ccc(Br)cc3O)cc2s1.
What is the InChIKey of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol?
The InChIKey is PBLRMRREDINBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4OS/c11-5-1-2-6(7(16)3-5)15-4-8-9(14-15)13-10(12)17-8/h1-4,16H,(H2,12,13,14).
What are the key properties of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol?
2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol has a molecular weight of 311.16 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 170787809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).