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

C16H19N7S — CID 134128206

IUPAC2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4nccs4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-8-18-11(2)15-20-13(21-23(10)15)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9,15H,4-5H2,1-3H3,(H,20,21)
InChIKeyWHLFFYOTKSQIMD-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.36
Rot. Bonds4

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

2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128206) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128206
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4nccs4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-8-18-11(2)15-20-13(21-23(10)15)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9,15H,4-5H2,1-3H3,(H,20,21)
InChIKeyWHLFFYOTKSQIMD-UHFFFAOYSA-N
XLogP2.36
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US9669029, 58 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128161
US9669029, 115 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128217
US9669029, 89 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128192
US9669029, 90 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128193
US9669029, 103 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128205
US9669029, 106 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 134128208
US9669029, 113 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 134128215
US9669029, 114 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 134128216
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95209830
2'-butyl-1-[1-(1,3-thiazol-2-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56752146
2-(1-Propan-2-ylimidazol-4-yl)-1,3-thiazole
CID 58415724
2-Pentyl-1-[4-(1,3-thiazol-2-yl)imidazol-1-yl]guanidine;trihydrate;dihydrochloride
CID 67928438

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128206) is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is CC1=CN=C(C)C2N=C(CCc3nc(-c4nccs4)cn3C)NN12.
What is the InChIKey of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is WHLFFYOTKSQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-8-18-11(2)15-20-13(21-23(10)15)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9,15H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 341.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).