N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine

C14H8F3N5S — CID 121485558

IUPACN-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine
SMILESFC(F)(F)c1nsc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C14H8F3N5S/c15-14(16,17)11-8-4-3-7(6-10(8)23-22-11)19-13-9-2-1-5-18-12(9)20-21-13/h1-6H,(H2,18,19,20,21)
InChIKeyANVSJEGVZCUEPF-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.33
Rot. Bonds2

About N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine

N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine (PubChem CID 121485558) has the molecular formula C14H8F3N5S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine
PubChem CID121485558
Molecular FormulaC14H8F3N5S
Molecular Weight335.31 g/mol
Exact Mass335.05
IUPAC NameN-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine
SMILESFC(F)(F)c1nsc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C14H8F3N5S/c15-14(16,17)11-8-4-3-7(6-10(8)23-22-11)19-13-9-2-1-5-18-12(9)20-21-13/h1-6H,(H2,18,19,20,21)
InChIKeyANVSJEGVZCUEPF-UHFFFAOYSA-N
XLogP4.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine (CID 121485558) is N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine is FC(F)(F)c1nsc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine?
The InChIKey is ANVSJEGVZCUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5S/c15-14(16,17)11-8-4-3-7(6-10(8)23-22-11)19-13-9-2-1-5-18-12(9)20-21-13/h1-6H,(H2,18,19,20,21).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine?
N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine has a molecular weight of 335.31 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(trifluoromethyl)-1,2-benzothiazol-6-amine is sourced from PubChem (CID 121485558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).