2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol

C15H12N6OS — CID 146268691

IUPAC2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3ccccc3O)cc12
InChIInChI=1S/C15H12N6OS/c16-13-10-8-21(7-9-3-1-2-4-12(9)22)19-14(10)18-15(17-13)11-5-6-23-20-11/h1-6,8,22H,7H2,(H2,16,17,18,19)
InChIKeyCWNHIVBMCIQPEU-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.29
Rot. Bonds3

About 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol

2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol (PubChem CID 146268691) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol
PubChem CID146268691
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3ccccc3O)cc12
InChIInChI=1S/C15H12N6OS/c16-13-10-8-21(7-9-3-1-2-4-12(9)22)19-14(10)18-15(17-13)11-5-6-23-20-11/h1-6,8,22H,7H2,(H2,16,17,18,19)
InChIKeyCWNHIVBMCIQPEU-UHFFFAOYSA-N
XLogP2.29
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11786528, Example 16
CID 146268701
2-(7-(2-(dimethylamino)ethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
CID 135575646
3-[6-(1,2-Thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155534198
US11786528, Example 25
CID 146268698
US11786528, Example 42
CID 146268699
US11786528, Example 10
CID 146268703
US11786528, Example 38
CID 146268704
US11786528, Example 46
CID 146268709
US11786528, Example 18
CID 146268714
US11786528, Example 43
CID 146270334
US11786528, Example 45
CID 146270337
2-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
CID 137288915

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol?
The IUPAC name of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol (CID 146268691) is 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol?
The canonical SMILES for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol is Nc1nc(-c2ccsn2)nc2nn(Cc3ccccc3O)cc12.
What is the InChIKey of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol?
The InChIKey is CWNHIVBMCIQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c16-13-10-8-21(7-9-3-1-2-4-12(9)22)19-14(10)18-15(17-13)11-5-6-23-20-11/h1-6,8,22H,7H2,(H2,16,17,18,19).
What are the key properties of 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol?
2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol has a molecular weight of 324.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 146268691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).