5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine

C21H14N4S — CID 88979950

IUPAC5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2s1
InChIInChI=1S/C21H14N4S/c22-21-25-19-12-15(2-4-20(19)26-21)14-1-3-18-17(11-14)16(7-10-24-18)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyOWIHRAVDOKXZHB-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.16
Rot. Bonds2

About 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine

5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine (PubChem CID 88979950) has the molecular formula C21H14N4S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
PubChem CID88979950
Molecular FormulaC21H14N4S
Molecular Weight354.44 g/mol
Exact Mass354.09
IUPAC Name5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2s1
InChIInChI=1S/C21H14N4S/c22-21-25-19-12-15(2-4-20(19)26-21)14-1-3-18-17(11-14)16(7-10-24-18)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyOWIHRAVDOKXZHB-UHFFFAOYSA-N
XLogP5.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine (CID 88979950) is 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine is Nc1nc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2s1.
What is the InChIKey of 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The InChIKey is OWIHRAVDOKXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4S/c22-21-25-19-12-15(2-4-20(19)26-21)14-1-3-18-17(11-14)16(7-10-24-18)13-5-8-23-9-6-13/h1-12H,(H2,22,25).
What are the key properties of 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine has a molecular weight of 354.44 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 88979950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).