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

C15H11FN6S — CID 53252248

IUPAC5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2cncs2)nc1/C=C/c1nc2c(F)cccn2n1
InChIInChI=1S/C15H11FN6S/c1-21-8-11(12-7-17-9-23-12)18-14(21)5-4-13-19-15-10(16)3-2-6-22(15)20-13/h2-9H,1H3/b5-4+
InChIKeyHQVHIYMOOHTBMS-SNAWJCMRSA-N
MW326.36 g/mol
LogP2.90
Rot. Bonds3

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

5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53252248) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[2-[(E)-2-(8-fluoro-[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-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53252248
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC Name5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2cncs2)nc1/C=C/c1nc2c(F)cccn2n1
InChIInChI=1S/C15H11FN6S/c1-21-8-11(12-7-17-9-23-12)18-14(21)5-4-13-19-15-10(16)3-2-6-22(15)20-13/h2-9H,1H3/b5-4+
InChIKeyHQVHIYMOOHTBMS-SNAWJCMRSA-N
XLogP2.90
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-(8-fluoro-[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-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53252248) is 5-[2-[(E)-2-(8-fluoro-[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-fluoro-[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-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cn1cc(-c2cncs2)nc1/C=C/c1nc2c(F)cccn2n1.
What is the InChIKey of 5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is HQVHIYMOOHTBMS-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H11FN6S/c1-21-8-11(12-7-17-9-23-12)18-14(21)5-4-13-19-15-10(16)3-2-6-22(15)20-13/h2-9H,1H3/b5-4+.
What are the key properties of 5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 326.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53252248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).