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

C21H14N4S — CID 169494490

IUPACN-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESc1cc(-c2ccc3nccc(Nc4ccc5scnc5c4)c3c2)ccn1
InChIInChI=1S/C21H14N4S/c1-3-18-17(11-15(1)14-5-8-22-9-6-14)19(7-10-23-18)25-16-2-4-21-20(12-16)24-13-26-21/h1-13H,(H,23,25)
InChIKeyDDRVRFLMLJHXSY-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.65
Rot. Bonds3

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

N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 169494490) has the molecular formula C21H14N4S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID169494490
Molecular FormulaC21H14N4S
Molecular Weight354.44 g/mol
Exact Mass354.09
IUPAC NameN-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESc1cc(-c2ccc3nccc(Nc4ccc5scnc5c4)c3c2)ccn1
InChIInChI=1S/C21H14N4S/c1-3-18-17(11-15(1)14-5-8-22-9-6-14)19(7-10-23-18)25-16-2-4-21-20(12-16)24-13-26-21/h1-13H,(H,23,25)
InChIKeyDDRVRFLMLJHXSY-UHFFFAOYSA-N
XLogP5.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-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 N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 169494490) is N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine is c1cc(-c2ccc3nccc(Nc4ccc5scnc5c4)c3c2)ccn1.
What is the InChIKey of N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is DDRVRFLMLJHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4S/c1-3-18-17(11-15(1)14-5-8-22-9-6-14)19(7-10-23-18)25-16-2-4-21-20(12-16)24-13-26-21/h1-13H,(H,23,25).
What are the key properties of N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 354.44 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyridin-4-ylquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 169494490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).