2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine

C13H13NOS — CID 82376755

IUPAC2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine
SMILESc1ccc(CC2CNc3cscc3O2)cc1
InChIInChI=1S/C13H13NOS/c1-2-4-10(5-3-1)6-11-7-14-12-8-16-9-13(12)15-11/h1-5,8-9,11,14H,6-7H2
InChIKeyAJTTZBMCDNXNCW-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.16
Rot. Bonds2

About 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine

2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine (PubChem CID 82376755) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine
PubChem CID82376755
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine
SMILESc1ccc(CC2CNc3cscc3O2)cc1
InChIInChI=1S/C13H13NOS/c1-2-4-10(5-3-1)6-11-7-14-12-8-16-9-13(12)15-11/h1-5,8-9,11,14H,6-7H2
InChIKeyAJTTZBMCDNXNCW-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine?
The IUPAC name of 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine (CID 82376755) is 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine.
What is the SMILES notation for 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine?
The canonical SMILES for 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine is c1ccc(CC2CNc3cscc3O2)cc1.
What is the InChIKey of 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine?
The InChIKey is AJTTZBMCDNXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-4-10(5-3-1)6-11-7-14-12-8-16-9-13(12)15-11/h1-5,8-9,11,14H,6-7H2.
What are the key properties of 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine?
2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine has a molecular weight of 231.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine is sourced from PubChem (CID 82376755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).