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

C17H20N6OS — CID 134128194

IUPAC5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOC1=CC=C(C)N2NC(CCc3nc(-c4cncs4)cn3C)=NC12
InChIInChI=1S/C17H20N6OS/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/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)
InChIKeyBMNMVQTVBQYPRJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.47
Rot. Bonds5

About 5-[2-[2-(8-methoxy-5-methyl-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-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128194) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxy-5-methyl-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-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128194
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOC1=CC=C(C)N2NC(CCc3nc(-c4cncs4)cn3C)=NC12
InChIInChI=1S/C17H20N6OS/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/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)
InChIKeyBMNMVQTVBQYPRJ-UHFFFAOYSA-N
XLogP2.47
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxy-5-methyl-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-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128194) is 5-[2-[2-(8-methoxy-5-methyl-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-methoxy-5-methyl-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-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is COC1=CC=C(C)N2NC(CCc3nc(-c4cncs4)cn3C)=NC12.
What is the InChIKey of 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is BMNMVQTVBQYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/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/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 5-[2-[2-(8-methoxy-5-methyl-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-methoxy-5-methyl-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 356.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-methoxy-5-methyl-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 134128194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).