(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate

C18H17N3O4S — CID 46696161

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate (PubChem CID 46696161) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

• Compound Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
• PubChem CID: 46696161
• Molecular Formula: C18H17N3O4S
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.09
• IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
• SMILES: O=C(Cc1ccccc1)NCCC(=O)OCc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C18H17N3O4S/c22-15(10-13-4-2-1-3-5-13)19-7-6-17(24)25-12-14-11-16(23)21-8-9-26-18(21)20-14/h1-5,8-9,11H,6-7,10,12H2,(H,19,22)
• InChIKey: QCLFOOGLBBUPIX-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate?

The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate (CID 46696161) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate.

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

The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate is O=C(Cc1ccccc1)NCCC(=O)OCc1cc(=O)n2ccsc2n1.

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

The InChIKey is QCLFOOGLBBUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-15(10-13-4-2-1-3-5-13)19-7-6-17(24)25-12-14-11-16(23)21-8-9-26-18(21)20-14/h1-5,8-9,11H,6-7,10,12H2,(H,19,22).

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 371.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 46696161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).