2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

C9H9NO2S — CID 130611453

IUPAC2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCC(C)c1nc2sccc2c(=O)o1
InChIInChI=1S/C9H9NO2S/c1-5(2)7-10-8-6(3-4-13-8)9(11)12-7/h3-5H,1-2H3
InChIKeyLIAGGCACJZMBIK-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.37
Rot. Bonds1

About 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 130611453) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID130611453
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCC(C)c1nc2sccc2c(=O)o1
InChIInChI=1S/C9H9NO2S/c1-5(2)7-10-8-6(3-4-13-8)9(11)12-7/h3-5H,1-2H3
InChIKeyLIAGGCACJZMBIK-UHFFFAOYSA-N
XLogP2.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 130611453) is 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is CC(C)c1nc2sccc2c(=O)o1.
What is the InChIKey of 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is LIAGGCACJZMBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-5(2)7-10-8-6(3-4-13-8)9(11)12-7/h3-5H,1-2H3.
What are the key properties of 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 195.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 130611453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).