(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C17H17N3O6S2 — CID 55927031

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55927031) has the molecular formula C17H17N3O6S2 and a molecular weight of 423.47 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

• Compound Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
• PubChem CID: 55927031
• Molecular Formula: C17H17N3O6S2
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.06
• IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
• SMILES: COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(=O)n3ccsc3n2)cc1
• InChI: InChI=1S/C17H17N3O6S2/c1-11(19-28(23,24)14-5-3-13(25-2)4-6-14)16(22)26-10-12-9-15(21)20-7-8-27-17(20)18-12/h3-9,11,19H,10H2,1-2H3/t11-/m0/s1
• InChIKey: NGJYGBLQPUQAJJ-NSHDSACASA-N
• XLogP: 1.17
• TPSA: 116.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
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 (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?

The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55927031) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?

The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(=O)n3ccsc3n2)cc1.

What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?

The InChIKey is NGJYGBLQPUQAJJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N3O6S2/c1-11(19-28(23,24)14-5-3-13(25-2)4-6-14)16(22)26-10-12-9-15(21)20-7-8-27-17(20)18-12/h3-9,11,19H,10H2,1-2H3/t11-/m0/s1.

What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 423.47 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 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 (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55927031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).