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

C7H8N2OS — CID 24894152

IUPAC2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNC1=NCCOc2ccsc21
InChIInChI=1S/C7H8N2OS/c8-7-6-5(1-4-11-6)10-3-2-9-7/h1,4H,2-3H2,(H2,8,9)
InChIKeyNZHZTEBAKPIRJP-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.85
Rot. Bonds

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

2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 24894152) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID24894152
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNC1=NCCOc2ccsc21
InChIInChI=1S/C7H8N2OS/c8-7-6-5(1-4-11-6)10-3-2-9-7/h1,4H,2-3H2,(H2,8,9)
InChIKeyNZHZTEBAKPIRJP-UHFFFAOYSA-N
XLogP0.85
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 24894152) is 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is NC1=NCCOc2ccsc21.
What is the InChIKey of 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is NZHZTEBAKPIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7-6-5(1-4-11-6)10-3-2-9-7/h1,4H,2-3H2,(H2,8,9).
What are the key properties of 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 168.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 24894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).