(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate

C17H11N3O5S — CID 3946356

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H11N3O5S/c21-13-7-10(18-17-19(13)5-6-26-17)9-25-14(22)8-20-15(23)11-3-1-2-4-12(11)16(20)24/h1-7H,8-9H2
InChIKeyNRSCBZFUZITLPA-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.10
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 3946356) has the molecular formula C17H11N3O5S and a molecular weight of 369.36 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID3946356
Molecular FormulaC17H11N3O5S
Molecular Weight369.36 g/mol
Exact Mass369.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H11N3O5S/c21-13-7-10(18-17-19(13)5-6-26-17)9-25-14(22)8-20-15(23)11-3-1-2-4-12(11)16(20)24/h1-7H,8-9H2
InChIKeyNRSCBZFUZITLPA-UHFFFAOYSA-N
XLogP1.10
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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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 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 3946356) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is NRSCBZFUZITLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5S/c21-13-7-10(18-17-19(13)5-6-26-17)9-25-14(22)8-20-15(23)11-3-1-2-4-12(11)16(20)24/h1-7H,8-9H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 369.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 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 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 3946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).