(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C14H10N6O3S — CID 8661807

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 8661807) has the molecular formula C14H10N6O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

• Compound Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
• PubChem CID: 8661807
• Molecular Formula: C14H10N6O3S
• Molecular Weight: 342.34 g/mol
• Exact Mass: 342.05
• IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
• SMILES: Cc1ccnc2nc(C(=O)OCc3cc(=O)n4ccsc4n3)nn12
• InChI: InChI=1S/C14H10N6O3S/c1-8-2-3-15-13-17-11(18-20(8)13)12(22)23-7-9-6-10(21)19-4-5-24-14(19)16-9/h2-6H,7H2,1H3
• InChIKey: ISDCSSAOTQIMFT-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 103.75 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.34
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?

The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 8661807) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?

The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OCc3cc(=O)n4ccsc4n3)nn12.

What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?

The InChIKey is ISDCSSAOTQIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3S/c1-8-2-3-15-13-17-11(18-20(8)13)12(22)23-7-9-6-10(21)19-4-5-24-14(19)16-9/h2-6H,7H2,1H3.

What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 342.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 8661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).