(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C16H12N4O4S — CID 55646553

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646553) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

• Compound Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
• PubChem CID: 55646553
• Molecular Formula: C16H12N4O4S
• Molecular Weight: 356.36 g/mol
• Exact Mass: 356.06
• IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
• SMILES: O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Cn2cccn2)o1
• InChI: InChI=1S/C16H12N4O4S/c21-14-8-11(18-16-20(14)6-7-25-16)10-23-15(22)13-3-2-12(24-13)9-19-5-1-4-17-19/h1-8H,9-10H2
• InChIKey: ALUOVYCGDLJGMT-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 91.63 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.36
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646553) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

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

The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Cn2cccn2)o1.

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

The InChIKey is ALUOVYCGDLJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c21-14-8-11(18-16-20(14)6-7-25-16)10-23-15(22)13-3-2-12(24-13)9-19-5-1-4-17-19/h1-8H,9-10H2.

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 356.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).