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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Related Compounds

2-propylthieno[2,3-d][1,3]oxazin-4-one
CID 130651588
2-(hexadecylamino)thieno[2,3-d][1,3]oxazin-4-one
CID 10222144
2-octoxythieno[2,3-d][1,3]oxazin-4-one
CID 141072530
2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68977440
5-(2,4-dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 915989
2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68979734
2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276706
2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 59767735
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 39004073
2-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326031
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
1-methyl-1-(4-propan-2-ylthieno[2,3-b]pyridin-6-yl)hydrazine
CID 70652060

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).