5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

C16H14N6OS — CID 53251930

IUPAC5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOc1cccn2nc(/C=C/c3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C16H14N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-10H,1-2H3/b6-5+
InChIKeyVJOCGJGFSWCVPA-AATRIKPKSA-N
MW338.40 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53251930) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53251930
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOc1cccn2nc(/C=C/c3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C16H14N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-10H,1-2H3/b6-5+
InChIKeyVJOCGJGFSWCVPA-AATRIKPKSA-N
XLogP2.77
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53251930) is 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is COc1cccn2nc(/C=C/c3nc(-c4cncs4)cn3C)nc12.
What is the InChIKey of 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is VJOCGJGFSWCVPA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-10H,1-2H3/b6-5+.
What are the key properties of 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 338.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53251930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).