N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide

C12H11N5O2S — CID 87857862

IUPACN-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide
SMILESNc1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1
InChIInChI=1S/C12H11N5O2S/c13-12-15-11-9(20-12)10(16-17-11)14-8(18)6-19-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)
InChIKeyXZVNRNZGSGLIJT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.62
Rot. Bonds4

About N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide

N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide (PubChem CID 87857862) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide
PubChem CID87857862
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide
SMILESNc1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1
InChIInChI=1S/C12H11N5O2S/c13-12-15-11-9(20-12)10(16-17-11)14-8(18)6-19-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)
InChIKeyXZVNRNZGSGLIJT-UHFFFAOYSA-N
XLogP1.62
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide (CID 87857862) is N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide is Nc1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1.
What is the InChIKey of N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide?
The InChIKey is XZVNRNZGSGLIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-12-15-11-9(20-12)10(16-17-11)14-8(18)6-19-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18).
What are the key properties of N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide?
N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide has a molecular weight of 289.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 87857862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).