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

C16H14N6OS — CID 146270337

IUPAC3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)cc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-11(23)6-10(9)7-22-8-12-14(17)18-16(19-15(12)20-22)13-4-5-24-21-13/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20)
InChIKeyASJMOCHMNIWWPW-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.59
Rot. Bonds3

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

3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol (PubChem CID 146270337) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
PubChem CID146270337
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)cc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-11(23)6-10(9)7-22-8-12-14(17)18-16(19-15(12)20-22)13-4-5-24-21-13/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20)
InChIKeyASJMOCHMNIWWPW-UHFFFAOYSA-N
XLogP2.59
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

US11786528, Example 16
CID 146268701
3-[6-(1,2-Thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155534198
3-[6-(1-Methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 126673033
US11786528, Example 44
CID 146268691
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 7
CID 146268727
US11786528, Example 32
CID 146268728

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The IUPAC name of 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol (CID 146270337) is 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol.
What is the SMILES notation for 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The canonical SMILES for 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol is Cc1ccc(O)cc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1.
What is the InChIKey of 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
The InChIKey is ASJMOCHMNIWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-2-3-11(23)6-10(9)7-22-8-12-14(17)18-16(19-15(12)20-22)13-4-5-24-21-13/h2-6,8,23H,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol?
3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol has a molecular weight of 338.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]-4-methylphenol is sourced from PubChem (CID 146270337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).