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

C15H19N3O5S — CID 8734443

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N3O5S/c1-15(2,3)23-14(21)16-5-4-12(20)22-9-10-8-11(19)18-6-7-24-13(18)17-10/h6-8H,4-5,9H2,1-3H3,(H,16,21)
InChIKeyUGIGHEOYBFYPIK-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.71
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 8734443) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID8734443
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N3O5S/c1-15(2,3)23-14(21)16-5-4-12(20)22-9-10-8-11(19)18-6-7-24-13(18)17-10/h6-8H,4-5,9H2,1-3H3,(H,16,21)
InChIKeyUGIGHEOYBFYPIK-UHFFFAOYSA-N
XLogP1.71
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 8734443) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NCCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is UGIGHEOYBFYPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-15(2,3)23-14(21)16-5-4-12(20)22-9-10-8-11(19)18-6-7-24-13(18)17-10/h6-8H,4-5,9H2,1-3H3,(H,16,21).
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 353.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 8734443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).