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

C21H14N4S — CID 87221041

IUPAC6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc2s1
InChIInChI=1S/C21H14N4S/c22-21-25-19-4-2-15(12-20(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)
InChIKeyMRJLLHICEJOAFF-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.16
Rot. Bonds2

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

6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine (PubChem CID 87221041) has the molecular formula C21H14N4S and a molecular weight of 354.44 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
PubChem CID87221041
Molecular FormulaC21H14N4S
Molecular Weight354.44 g/mol
Exact Mass354.09
IUPAC Name6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc2s1
InChIInChI=1S/C21H14N4S/c22-21-25-19-4-2-15(12-20(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)
InChIKeyMRJLLHICEJOAFF-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

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Related Compounds

4-(3-Methylphenyl)-5-(1,5-Naphthyridin-2-Yl)-1,3-Thiazol-2-Amine
CID 91885649
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
4-(6-Methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazol-2-amine
CID 44571365
Dercitin
CID 130774
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 45486325
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-5-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 45486328
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
(2-Methyl-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11346863

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine (CID 87221041) is 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc2s1.
What is the InChIKey of 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MRJLLHICEJOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4S/c22-21-25-19-4-2-15(12-20(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 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine?
6-(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 6-(4-pyridin-4-ylquinolin-6-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87221041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).