4-[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 134128216

IUPAC4-[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(-c4cscn4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-6-17-11(2)16-20-14(21-23(10)16)4-5-15-19-12(7-22(15)3)13-8-24-9-18-13/h6-9,16H,4-5H2,1-3H3,(H,20,21)
InChIKeyNYJXKGYYRGFWBR-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.36
Rot. Bonds4

About 4-[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

4-[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 134128216) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[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 Name4-[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 CID134128216
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name4-[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(-c4cscn4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-6-17-11(2)16-20-14(21-23(10)16)4-5-15-19-12(7-22(15)3)13-8-24-9-18-13/h6-9,16H,4-5H2,1-3H3,(H,20,21)
InChIKeyNYJXKGYYRGFWBR-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 4-[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

Zaltidine
CID 56051
CP-66,948
CID 127772
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
4-(1-Methylimidazol-4-yl)-1,3-thiazole
CID 117935576
US9669029, 46 8-Methoxy-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128150
US9669029, 54 8-Methoxy-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128158
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, 91 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128194
US9669029, 96 8-Methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128198
US9669029, 97 4-{2-[2-(8-Methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-butyronitrile
CID 134128199

Frequently Asked Questions

What is the IUPAC name of 4-[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 4-[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 134128216) is 4-[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 4-[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 4-[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(-c4cscn4)cn3C)NN12.
What is the InChIKey of 4-[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 NYJXKGYYRGFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-6-17-11(2)16-20-14(21-23(10)16)4-5-15-19-12(7-22(15)3)13-8-24-9-18-13/h6-9,16H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 4-[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?
4-[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 4-[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 134128216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).