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

C16H17N7S — CID 67257549

IUPAC5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cn(C)c(-c4cncs4)n3)nc12
InChIInChI=1S/C16H17N7S/c1-10-6-18-11(2)15-20-14(21-23(10)15)5-4-12-8-22(3)16(19-12)13-7-17-9-24-13/h6-9H,4-5H2,1-3H3
InChIKeyMTCIEYVRKIHOCK-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.38
Rot. Bonds4

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

5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole (PubChem CID 67257549) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole
PubChem CID67257549
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cn(C)c(-c4cncs4)n3)nc12
InChIInChI=1S/C16H17N7S/c1-10-6-18-11(2)15-20-14(21-23(10)15)5-4-12-8-22(3)16(19-12)13-7-17-9-24-13/h6-9H,4-5H2,1-3H3
InChIKeyMTCIEYVRKIHOCK-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-(2-thiazol-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67258417
2-[1-[(2-Methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 11416499
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
US9096589, 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 67257519
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-5-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71059790
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole (CID 67257549) is 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3cn(C)c(-c4cncs4)n3)nc12.
What is the InChIKey of 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?
The InChIKey is MTCIEYVRKIHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10-6-18-11(2)15-20-14(21-23(10)15)5-4-12-8-22(3)16(19-12)13-7-17-9-24-13/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?
5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-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 5-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 67257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).