2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

C14H10FNO2S — CID 876961

IUPAC2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3ccccc3F)oc(=O)c2c1C
InChIInChI=1S/C14H10FNO2S/c1-7-8(2)19-13-11(7)14(17)18-12(16-13)9-5-3-4-6-10(9)15/h3-6H,1-2H3
InChIKeyZVKGLFPBLOCIKU-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.67
Rot. Bonds1

About 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 876961) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID876961
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3ccccc3F)oc(=O)c2c1C
InChIInChI=1S/C14H10FNO2S/c1-7-8(2)19-13-11(7)14(17)18-12(16-13)9-5-3-4-6-10(9)15/h3-6H,1-2H3
InChIKeyZVKGLFPBLOCIKU-UHFFFAOYSA-N
XLogP3.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 915989
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CID 947436
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CID 950065
CID 950065
CID 804822
CID 804822
CID 2053249
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CID 384428
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CID 712401
CID 712401
CID 874714
CID 874714
CID 613091
CID 613091
CID 799277
CID 799277
CID 569471
CID 569471

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (CID 876961) is 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is Cc1sc2nc(-c3ccccc3F)oc(=O)c2c1C.
What is the InChIKey of 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is ZVKGLFPBLOCIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-7-8(2)19-13-11(7)14(17)18-12(16-13)9-5-3-4-6-10(9)15/h3-6H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 275.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).