5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole

C15H14N6OS — CID 53250044

IUPAC5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole
SMILESCOc1cccn2nc(CCc3ncc(-c4cncs4)[nH]3)nc12
InChIInChI=1S/C15H14N6OS/c1-22-11-3-2-6-21-15(11)19-14(20-21)5-4-13-17-7-10(18-13)12-8-16-9-23-12/h2-3,6-9H,4-5H2,1H3,(H,17,18)
InChIKeyRZXOREZNLKLBOV-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.37
Rot. Bonds5

About 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole

5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 53250044) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID53250044
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole
SMILESCOc1cccn2nc(CCc3ncc(-c4cncs4)[nH]3)nc12
InChIInChI=1S/C15H14N6OS/c1-22-11-3-2-6-21-15(11)19-14(20-21)5-4-13-17-7-10(18-13)12-8-16-9-23-12/h2-3,6-9H,4-5H2,1H3,(H,17,18)
InChIKeyRZXOREZNLKLBOV-UHFFFAOYSA-N
XLogP2.37
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53234600
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[4-(5-methoxy-2-pyridinyl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952796
US8927738, 8-Methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53244676
US9096589, 8-Methoxy-2-[2-(4-pyridin-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250045
US9096589, 8-Methoxy-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250190
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250347
US9096589, 8-Methoxy-5-methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250349
US9096589, 8-Methoxy-5-methyl-2-[2-(1-propyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250497
US9096589, 8-Methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250498
US9096589, 4-{2-[2-(8-Methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-butyronitrile
CID 53250499
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250500
US9096589, 8-Methoxy-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251928

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole (CID 53250044) is 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole is COc1cccn2nc(CCc3ncc(-c4cncs4)[nH]3)nc12.
What is the InChIKey of 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is RZXOREZNLKLBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-22-11-3-2-6-21-15(11)19-14(20-21)5-4-13-17-7-10(18-13)12-8-16-9-23-12/h2-3,6-9H,4-5H2,1H3,(H,17,18).
What are the key properties of 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole?
5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 326.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 53250044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).