2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole

C16H12N8S — CID 129051755

IUPAC2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5nccs5)nc4n3)nc2n1
InChIInChI=1S/C16H12N8S/c1-9-7-10(2)24-16(18-9)21-13(22-24)11-3-5-23-8-12(20-15(23)19-11)14-17-4-6-25-14/h3-8H,1-2H3
InChIKeyZYCQDAAMBJOOGC-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.57
Rot. Bonds2

About 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole

2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 129051755) has the molecular formula C16H12N8S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
PubChem CID129051755
Molecular FormulaC16H12N8S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5nccs5)nc4n3)nc2n1
InChIInChI=1S/C16H12N8S/c1-9-7-10(2)24-16(18-9)21-13(22-24)11-3-5-23-8-12(20-15(23)19-11)14-17-4-6-25-14/h3-8H,1-2H3
InChIKeyZYCQDAAMBJOOGC-UHFFFAOYSA-N
XLogP2.57
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole (CID 129051755) is 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole is Cc1cc(C)n2nc(-c3ccn4cc(-c5nccs5)nc4n3)nc2n1.
What is the InChIKey of 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is ZYCQDAAMBJOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8S/c1-9-7-10(2)24-16(18-9)21-13(22-24)11-3-5-23-8-12(20-15(23)19-11)14-17-4-6-25-14/h3-8H,1-2H3.
What are the key properties of 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole?
2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 348.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 129051755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).