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

C13H8BrNO2S — CID 3796366

IUPAC2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1cc2c(=O)oc(-c3ccccc3Br)nc2s1
InChIInChI=1S/C13H8BrNO2S/c1-7-6-9-12(18-7)15-11(17-13(9)16)8-4-2-3-5-10(8)14/h2-6H,1H3
InChIKeyANAMDTZYLYXCBT-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.99
Rot. Bonds1

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

2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 3796366) has the molecular formula C13H8BrNO2S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID3796366
Molecular FormulaC13H8BrNO2S
Molecular Weight322.18 g/mol
Exact Mass320.95
IUPAC Name2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1cc2c(=O)oc(-c3ccccc3Br)nc2s1
InChIInChI=1S/C13H8BrNO2S/c1-7-6-9-12(18-7)15-11(17-13(9)16)8-4-2-3-5-10(8)14/h2-6H,1H3
InChIKeyANAMDTZYLYXCBT-UHFFFAOYSA-N
XLogP3.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one (CID 3796366) is 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one is Cc1cc2c(=O)oc(-c3ccccc3Br)nc2s1.
What is the InChIKey of 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is ANAMDTZYLYXCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2S/c1-7-6-9-12(18-7)15-11(17-13(9)16)8-4-2-3-5-10(8)14/h2-6H,1H3.
What are the key properties of 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 322.18 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 3796366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).