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

C16H17N7S — CID 67257519

IUPAC4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12
InChIInChI=1S/C16H17N7S/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/h6-9H,4-5H2,1-3H3
InChIKeyXCSWHBVTVHCLLJ-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.38
Rot. Bonds4

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

4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 67257519) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 4-[2-[2-(5,8-dimethyl-[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-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID67257519
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12
InChIInChI=1S/C16H17N7S/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/h6-9H,4-5H2,1-3H3
InChIKeyXCSWHBVTVHCLLJ-UHFFFAOYSA-N
XLogP2.38
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[7-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 118525795
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-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
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-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250655
US8927738, 5,8-Dimethyl-2-[2-(1-methyl-2-thiazol-5-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257549
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
US8927738, 5,8-Dimethyl-2-[2-(1-methyl-2-thiazol-4-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67259021
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-4-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71059812
3-(1-Methyl-1h-pyrazol-4-yl)-N-(4-methyl-2-thiazolyl)-imidazo[1,2-a]pyrazin-8-amine
CID 56673303
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 164633260
3-(difluoromethyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75399083

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(5,8-dimethyl-[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-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 67257519) is 4-[2-[2-(5,8-dimethyl-[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-[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-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12.
What is the InChIKey of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is XCSWHBVTVHCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/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/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 339.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 67257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).