2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one

C14H12BrNO2S — CID 24869264

IUPAC2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one
SMILESCCC1C=C2C(=O)OC(c3ccc(Br)cc3)N=C2S1
InChIInChI=1S/C14H12BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7,10,12H,2H2,1H3
InChIKeyZSHPIWNBQILXNX-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.85
Rot. Bonds2

About 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one

2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one (PubChem CID 24869264) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one
PubChem CID24869264
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one
SMILESCCC1C=C2C(=O)OC(c3ccc(Br)cc3)N=C2S1
InChIInChI=1S/C14H12BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7,10,12H,2H2,1H3
InChIKeyZSHPIWNBQILXNX-UHFFFAOYSA-N
XLogP3.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-isoindol-1-ylsulfanyl)ethyl 2-bromobenzoate
CID 58727148

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one (CID 24869264) is 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one is CCC1C=C2C(=O)OC(c3ccc(Br)cc3)N=C2S1.
What is the InChIKey of 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is ZSHPIWNBQILXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7,10,12H,2H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one?
2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 338.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-ethyl-2,6-dihydrothieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 24869264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).