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

C14H10BrNO2S — CID 2053249

IUPAC2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1cc2c(=O)oc(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C14H10BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChIKeyKINHAYQGYGHGHH-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.24
Rot. Bonds2

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

2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 2053249) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID2053249
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1cc2c(=O)oc(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C14H10BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChIKeyKINHAYQGYGHGHH-UHFFFAOYSA-N
XLogP4.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one (CID 2053249) is 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one is CCc1cc2c(=O)oc(-c3ccc(Br)cc3)nc2s1.
What is the InChIKey of 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is KINHAYQGYGHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c1-2-10-7-11-13(19-10)16-12(18-14(11)17)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one?
2-(4-bromophenyl)-6-ethylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 336.21 g/mol, XLogP of 4.24, 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-ethylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 2053249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).