5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one

C14H11NO2S — CID 569471

IUPAC5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C14H11NO2S/c1-8-9(2)18-13-11(8)14(16)17-12(15-13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyATXBABRHIHRGAM-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.53
Rot. Bonds1

About 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one

5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 569471) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID569471
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C14H11NO2S/c1-8-9(2)18-13-11(8)14(16)17-12(15-13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyATXBABRHIHRGAM-UHFFFAOYSA-N
XLogP3.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one (CID 569471) is 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one is Cc1sc2nc(-c3ccccc3)oc(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is ATXBABRHIHRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-9(2)18-13-11(8)14(16)17-12(15-13)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 257.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 569471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).