2-propylthieno[2,3-d][1,3]oxazin-4-one

C9H9NO2S — CID 130651588

IUPAC2-propylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCc1nc2sccc2c(=O)o1
InChIInChI=1S/C9H9NO2S/c1-2-3-7-10-8-6(4-5-13-8)9(11)12-7/h4-5H,2-3H2,1H3
InChIKeyYRCQQILPAIGELZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds2

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

2-propylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 130651588) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-propylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-propylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID130651588
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-propylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCc1nc2sccc2c(=O)o1
InChIInChI=1S/C9H9NO2S/c1-2-3-7-10-8-6(4-5-13-8)9(11)12-7/h4-5H,2-3H2,1H3
InChIKeyYRCQQILPAIGELZ-UHFFFAOYSA-N
XLogP2.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-propylthieno[2,3-d][1,3]oxazin-4-one (CID 130651588) is 2-propylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-propylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-propylthieno[2,3-d][1,3]oxazin-4-one is CCCc1nc2sccc2c(=O)o1.
What is the InChIKey of 2-propylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is YRCQQILPAIGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-2-3-7-10-8-6(4-5-13-8)9(11)12-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-propylthieno[2,3-d][1,3]oxazin-4-one?
2-propylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 195.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 130651588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).