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

C11H9FN4OS — CID 170787718

IUPAC2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol
SMILESCc1cc(F)cc(O)c1-n1cc2sc(N)nc2n1
InChIInChI=1S/C11H9FN4OS/c1-5-2-6(12)3-7(17)9(5)16-4-8-10(15-16)14-11(13)18-8/h2-4,17H,1H3,(H2,13,14,15)
InChIKeyOPIKYNIORJWCLY-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.22
Rot. Bonds1

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

2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol (PubChem CID 170787718) has the molecular formula C11H9FN4OS and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol
PubChem CID170787718
Molecular FormulaC11H9FN4OS
Molecular Weight264.29 g/mol
Exact Mass264.05
IUPAC Name2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol
SMILESCc1cc(F)cc(O)c1-n1cc2sc(N)nc2n1
InChIInChI=1S/C11H9FN4OS/c1-5-2-6(12)3-7(17)9(5)16-4-8-10(15-16)14-11(13)18-8/h2-4,17H,1H3,(H2,13,14,15)
InChIKeyOPIKYNIORJWCLY-UHFFFAOYSA-N
XLogP2.22
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-fluoro-3-methylphenol?
The IUPAC name of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol (CID 170787718) is 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol.
What is the SMILES notation for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol?
The canonical SMILES for 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol is Cc1cc(F)cc(O)c1-n1cc2sc(N)nc2n1.
What is the InChIKey of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol?
The InChIKey is OPIKYNIORJWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4OS/c1-5-2-6(12)3-7(17)9(5)16-4-8-10(15-16)14-11(13)18-8/h2-4,17H,1H3,(H2,13,14,15).
What are the key properties of 2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol?
2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-fluoro-3-methylphenol has a molecular weight of 264.29 g/mol, XLogP of 2.22, 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-fluoro-3-methylphenol is sourced from PubChem (CID 170787718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).