7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one

C14H8F3NO2S — CID 68833585

IUPAC7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one
SMILESCc1csc2c(=O)oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8F3NO2S/c1-7-6-21-11-10(7)18-12(20-13(11)19)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3
InChIKeyUNDOQIGQLQBOLB-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.24
Rot. Bonds1

About 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one

7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one (PubChem CID 68833585) has the molecular formula C14H8F3NO2S and a molecular weight of 311.28 g/mol. Its IUPAC name is 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one
PubChem CID68833585
Molecular FormulaC14H8F3NO2S
Molecular Weight311.28 g/mol
Exact Mass311.02
IUPAC Name7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one
SMILESCc1csc2c(=O)oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8F3NO2S/c1-7-6-21-11-10(7)18-12(20-13(11)19)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3
InChIKeyUNDOQIGQLQBOLB-UHFFFAOYSA-N
XLogP4.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one (CID 68833585) is 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one is Cc1csc2c(=O)oc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one?
The InChIKey is UNDOQIGQLQBOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2S/c1-7-6-21-11-10(7)18-12(20-13(11)19)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3.
What are the key properties of 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one?
7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one has a molecular weight of 311.28 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 68833585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).