3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

C9H12N2OS — CID 54187958

IUPAC3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCC1COc2ccsc2C(N)=N1
InChIInChI=1S/C9H12N2OS/c1-2-6-5-12-7-3-4-13-8(7)9(10)11-6/h3-4,6H,2,5H2,1H3,(H2,10,11)
InChIKeyPGLJDFZXYMIATH-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.62
Rot. Bonds1

About 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 54187958) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID54187958
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCC1COc2ccsc2C(N)=N1
InChIInChI=1S/C9H12N2OS/c1-2-6-5-12-7-3-4-13-8(7)9(10)11-6/h3-4,6H,2,5H2,1H3,(H2,10,11)
InChIKeyPGLJDFZXYMIATH-UHFFFAOYSA-N
XLogP1.62
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 54187958) is 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is CCC1COc2ccsc2C(N)=N1.
What is the InChIKey of 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is PGLJDFZXYMIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-6-5-12-7-3-4-13-8(7)9(10)11-6/h3-4,6H,2,5H2,1H3,(H2,10,11).
What are the key properties of 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 196.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 54187958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).