2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole

C24H17N3OS — CID 58387591

IUPAC2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(COc2ccnc3ccc(-c4cccc(-c5nccs5)n4)cc23)cc1
InChIInChI=1S/C24H17N3OS/c1-2-5-17(6-3-1)16-28-23-11-12-25-21-10-9-18(15-19(21)23)20-7-4-8-22(27-20)24-26-13-14-29-24/h1-15H,16H2
InChIKeyNGJDBEPBSXAKJA-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.00
Rot. Bonds5

About 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole

2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 58387591) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID58387591
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(COc2ccnc3ccc(-c4cccc(-c5nccs5)n4)cc23)cc1
InChIInChI=1S/C24H17N3OS/c1-2-5-17(6-3-1)16-28-23-11-12-25-21-10-9-18(15-19(21)23)20-7-4-8-22(27-20)24-26-13-14-29-24/h1-15H,16H2
InChIKeyNGJDBEPBSXAKJA-UHFFFAOYSA-N
XLogP6.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline
CID 58387598
2-[3,4-bis(phenylmethoxy)phenyl]-1,3-thiazole
CID 25131159
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
4-phenylmethoxyquinoline
CID 11299312
6-(azidomethyl)-4-phenylmethoxyquinoline
CID 86003622
2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole
CID 144730137
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
4-hydroxy-N-[(4-phenylmethoxyquinolin-6-yl)methyl]benzamide
CID 11749432
4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole
CID 102430896
6-phenylmethoxyquinolin-5-amine
CID 43809775
N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10199490
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole (CID 58387591) is 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole is c1ccc(COc2ccnc3ccc(-c4cccc(-c5nccs5)n4)cc23)cc1.
What is the InChIKey of 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is NGJDBEPBSXAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c1-2-5-17(6-3-1)16-28-23-11-12-25-21-10-9-18(15-19(21)23)20-7-4-8-22(27-20)24-26-13-14-29-24/h1-15H,16H2.
What are the key properties of 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole?
2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 395.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 58387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).