5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

C17H17NO2S — CID 915989

IUPAC5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)c(C)c1
InChIInChI=1S/C17H17NO2S/c1-9(2)15-18-16-14(17(19)20-15)13(8-21-16)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3
InChIKeyUCQDGIAMJWQYJU-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.66
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 915989) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID915989
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)c(C)c1
InChIInChI=1S/C17H17NO2S/c1-9(2)15-18-16-14(17(19)20-15)13(8-21-16)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3
InChIKeyUCQDGIAMJWQYJU-UHFFFAOYSA-N
XLogP4.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 915989) is 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is Cc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is UCQDGIAMJWQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-9(2)15-18-16-14(17(19)20-15)13(8-21-16)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 299.40 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 915989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).