2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one

C19H13NO2S — CID 747503

IUPAC2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1
InChIInChI=1S/C19H13NO2S/c1-12-20-18-16(19(21)22-12)15(13-8-4-2-5-9-13)17(23-18)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyUASLMFLZBGEUTH-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.89
Rot. Bonds2

About 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one

2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 747503) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID747503
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Name2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1
InChIInChI=1S/C19H13NO2S/c1-12-20-18-16(19(21)22-12)15(13-8-4-2-5-9-13)17(23-18)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyUASLMFLZBGEUTH-UHFFFAOYSA-N
XLogP4.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one (CID 747503) is 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one is Cc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1.
What is the InChIKey of 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is UASLMFLZBGEUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c1-12-20-18-16(19(21)22-12)15(13-8-4-2-5-9-13)17(23-18)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one?
2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 319.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 747503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).