2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole

C14H9N3S — CID 162412475

IUPAC2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4[nH]ncc4c3s2)cc1
InChIInChI=1S/C14H9N3S/c1-2-4-9(5-3-1)14-16-12-7-6-11-10(8-15-17-11)13(12)18-14/h1-8H,(H,15,17)
InChIKeyCUELCEQIAHMQNL-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.84
Rot. Bonds1

About 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole

2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole (PubChem CID 162412475) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
PubChem CID162412475
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4[nH]ncc4c3s2)cc1
InChIInChI=1S/C14H9N3S/c1-2-4-9(5-3-1)14-16-12-7-6-11-10(8-15-17-11)13(12)18-14/h1-8H,(H,15,17)
InChIKeyCUELCEQIAHMQNL-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole 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

5-bromo-2-phenylnaphtho[1,2-g][1,3]benzothiazole
CID 174295877
6,7-dimethoxy-2-phenyl-1,3-benzothiazole
CID 101432733
2-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzothiazole
CID 138633562
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[g][1,3]benzothiazole
CID 174066680
6-ethyl-2-phenyl-[1,3]thiazolo[5,4-f]quinolin-7-one
CID 102105500
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzothiazole
CID 156556062
7-chloro-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167123681
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
3H-naphtho[2,3-e]indazole
CID 57355763
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411837
2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
CID 144788185
2-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-amine
CID 171411267

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole?
The IUPAC name of 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole (CID 162412475) is 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole is c1ccc(-c2nc3ccc4[nH]ncc4c3s2)cc1.
What is the InChIKey of 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole?
The InChIKey is CUELCEQIAHMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c1-2-4-9(5-3-1)14-16-12-7-6-11-10(8-15-17-11)13(12)18-14/h1-8H,(H,15,17).
What are the key properties of 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole?
2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole has a molecular weight of 251.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole is sourced from PubChem (CID 162412475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).