(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate

C20H19NO4S — CID 23178245

IUPAC(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate
SMILESCCCOC(=O)OC1CSC2(c3ccccc3)c3ccccc3C(=O)N12
InChIInChI=1S/C20H19NO4S/c1-2-12-24-19(23)25-17-13-26-20(14-8-4-3-5-9-14)16-11-7-6-10-15(16)18(22)21(17)20/h3-11,17H,2,12-13H2,1H3
InChIKeyBIYRHWODYVRKLZ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.98
Rot. Bonds4

About (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate

(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate (PubChem CID 23178245) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate.

Molecular Properties

Compound Name(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate
PubChem CID23178245
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate
SMILESCCCOC(=O)OC1CSC2(c3ccccc3)c3ccccc3C(=O)N12
InChIInChI=1S/C20H19NO4S/c1-2-12-24-19(23)25-17-13-26-20(14-8-4-3-5-9-14)16-11-7-6-10-15(16)18(22)21(17)20/h3-11,17H,2,12-13H2,1H3
InChIKeyBIYRHWODYVRKLZ-UHFFFAOYSA-N
XLogP3.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate?
The IUPAC name of (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate (CID 23178245) is (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate.
What is the SMILES notation for (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate?
The canonical SMILES for (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate is CCCOC(=O)OC1CSC2(c3ccccc3)c3ccccc3C(=O)N12.
What is the InChIKey of (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate?
The InChIKey is BIYRHWODYVRKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-2-12-24-19(23)25-17-13-26-20(14-8-4-3-5-9-14)16-11-7-6-10-15(16)18(22)21(17)20/h3-11,17H,2,12-13H2,1H3.
What are the key properties of (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate?
(5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate has a molecular weight of 369.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl) propyl carbonate is sourced from PubChem (CID 23178245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).