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

C15H15FN6S — CID 134128161

IUPAC5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2cncs2)nc1CCC1=NC2C(F)=CC=CN2N1
InChIInChI=1S/C15H15FN6S/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/h2-3,6-9,15H,4-5H2,1H3,(H,19,20)
InChIKeyUORCMBCTONMEJZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.40
Rot. Bonds4

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

5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128161) has the molecular formula C15H15FN6S and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128161
Molecular FormulaC15H15FN6S
Molecular Weight330.39 g/mol
Exact Mass330.11
IUPAC Name5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2cncs2)nc1CCC1=NC2C(F)=CC=CN2N1
InChIInChI=1S/C15H15FN6S/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/h2-3,6-9,15H,4-5H2,1H3,(H,19,20)
InChIKeyUORCMBCTONMEJZ-UHFFFAOYSA-N
XLogP2.40
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128161) is 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cn1cc(-c2cncs2)nc1CCC1=NC2C(F)=CC=CN2N1.
What is the InChIKey of 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is UORCMBCTONMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6S/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/h2-3,6-9,15H,4-5H2,1H3,(H,19,20).
What are the key properties of 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 330.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-fluoro-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).