5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one

C15H13NO2S — CID 743912

IUPAC5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3sc(C)c(C)c3c(=O)o2)cc1
InChIInChI=1S/C15H13NO2S/c1-8-4-6-11(7-5-8)13-16-14-12(15(17)18-13)9(2)10(3)19-14/h4-7H,1-3H3
InChIKeyOTGMMIRJIMARJB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.84
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one

5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 743912) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID743912
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3sc(C)c(C)c3c(=O)o2)cc1
InChIInChI=1S/C15H13NO2S/c1-8-4-6-11(7-5-8)13-16-14-12(15(17)18-13)9(2)10(3)19-14/h4-7H,1-3H3
InChIKeyOTGMMIRJIMARJB-UHFFFAOYSA-N
XLogP3.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.84
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-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 743912) is 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is Cc1ccc(-c2nc3sc(C)c(C)c3c(=O)o2)cc1.
What is the InChIKey of 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is OTGMMIRJIMARJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-8-4-6-11(7-5-8)13-16-14-12(15(17)18-13)9(2)10(3)19-14/h4-7H,1-3H3.
What are the key properties of 5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
5,6-dimethyl-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 271.34 g/mol, XLogP of 3.84, 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-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).