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

C15H16N8S — CID 67255471

IUPAC2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4nccs4)nn3C)nc12
InChIInChI=1S/C15H16N8S/c1-9-8-17-10(2)14-18-11(20-23(9)14)4-5-12-19-13(21-22(12)3)15-16-6-7-24-15/h6-8H,4-5H2,1-3H3
InChIKeyKUSJWOXGMJPTEA-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.78
Rot. Bonds4

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

2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 67255471) has the molecular formula C15H16N8S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID67255471
Molecular FormulaC15H16N8S
Molecular Weight340.42 g/mol
Exact Mass340.12
IUPAC Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4nccs4)nn3C)nc12
InChIInChI=1S/C15H16N8S/c1-9-8-17-10(2)14-18-11(20-23(9)14)4-5-12-19-13(21-22(12)3)15-16-6-7-24-15/h6-8H,4-5H2,1-3H3
InChIKeyKUSJWOXGMJPTEA-UHFFFAOYSA-N
XLogP1.78
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67258417
US8927738, 5,8-Dimethyl-2-[2-(1-methyl-2-thiazol-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53244673
US9096589, 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 53250649
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257996
2-[[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97471190
3,6-Bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
CID 136738261
8-(4-Methyl-1-piperazinyl)-5-(2-thiazolyl)-1,2,4-triazolo[4,3-a]pyrazine
CID 53391185
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67256532
5-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67256809
2-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-5-methyl-1,3-thiazole
CID 67257973
2-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
CID 67258875
2-[4-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole
CID 71076134

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 67255471) is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3nc(-c4nccs4)nn3C)nc12.
What is the InChIKey of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is KUSJWOXGMJPTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8S/c1-9-8-17-10(2)14-18-11(20-23(9)14)4-5-12-19-13(21-22(12)3)15-16-6-7-24-15/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 340.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 67255471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).