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

C15H15N7S — CID 71059812

IUPAC4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-5-16-10(2)15-20-13(21-22(9)15)4-3-11-6-17-14(19-11)12-7-23-8-18-12/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyCBPKHXUCPVUYKR-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.37
Rot. Bonds4

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

4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 71059812) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID71059812
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-5-16-10(2)15-20-13(21-22(9)15)4-3-11-6-17-14(19-11)12-7-23-8-18-12/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyCBPKHXUCPVUYKR-UHFFFAOYSA-N
XLogP2.37
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257519
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
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
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
4-(3-Methyl-9-pentyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purin-7-yl)-1,3-thiazole
CID 141192314
3-[[2-(aminodiazenyl)-1H-imidazol-5-yl]methyl]-6-methyl-[1,3]thiazolo[5,4-e][1,2,4]triazine
CID 173506448
4-[[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099733
4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099734
4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine
CID 114402011

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (CID 71059812) is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12.
What is the InChIKey of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is CBPKHXUCPVUYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-9-5-16-10(2)15-20-13(21-22(9)15)4-3-11-6-17-14(19-11)12-7-23-8-18-12/h5-8H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 325.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 71059812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).