6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one

C14H11NO2S — CID 950065

IUPAC6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCc1cccc(-c2nc3sc(C)cc3c(=O)o2)c1
InChIInChI=1S/C14H11NO2S/c1-8-4-3-5-10(6-8)12-15-13-11(14(16)17-12)7-9(2)18-13/h3-7H,1-2H3
InChIKeyGYLIUPCGLUKDGO-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.53
Rot. Bonds1

About 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one

6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 950065) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID950065
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCc1cccc(-c2nc3sc(C)cc3c(=O)o2)c1
InChIInChI=1S/C14H11NO2S/c1-8-4-3-5-10(6-8)12-15-13-11(14(16)17-12)7-9(2)18-13/h3-7H,1-2H3
InChIKeyGYLIUPCGLUKDGO-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 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 950065) is 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is Cc1cccc(-c2nc3sc(C)cc3c(=O)o2)c1.
What is the InChIKey of 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is GYLIUPCGLUKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-4-3-5-10(6-8)12-15-13-11(14(16)17-12)7-9(2)18-13/h3-7H,1-2H3.
What are the key properties of 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
6-methyl-2-(3-methylphenyl)thieno[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 6-methyl-2-(3-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 950065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).