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

C17H18N6OS — CID 53250347

IUPAC5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C17H18N6OS/c1-11-4-5-13(24-3)17-20-15(21-23(11)17)6-7-16-19-12(9-22(16)2)14-8-18-10-25-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLMLWQVAQDQHNGB-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.69
Rot. Bonds5

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

5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53250347) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxy-5-methyl-[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-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53250347
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C17H18N6OS/c1-11-4-5-13(24-3)17-20-15(21-23(11)17)6-7-16-19-12(9-22(16)2)14-8-18-10-25-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLMLWQVAQDQHNGB-UHFFFAOYSA-N
XLogP2.69
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxy-5-methyl-[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-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53250347) is 5-[2-[2-(8-methoxy-5-methyl-[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-methoxy-5-methyl-[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-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is COc1ccc(C)n2nc(CCc3nc(-c4cncs4)cn3C)nc12.
What is the InChIKey of 5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is LMLWQVAQDQHNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-11-4-5-13(24-3)17-20-15(21-23(11)17)6-7-16-19-12(9-22(16)2)14-8-18-10-25-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 354.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53250347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).