6-benzyl-3H-thieno[2,3-b][1,4]thiazine

C13H11NS2 — CID 90902293

IUPAC6-benzyl-3H-thieno[2,3-b][1,4]thiazine
SMILESC1=Nc2cc(Cc3ccccc3)sc2SC1
InChIInChI=1S/C13H11NS2/c1-2-4-10(5-3-1)8-11-9-12-13(16-11)15-7-6-14-12/h1-6,9H,7-8H2
InChIKeyULAZKMWFKOLFIX-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.15
Rot. Bonds2

About 6-benzyl-3H-thieno[2,3-b][1,4]thiazine

6-benzyl-3H-thieno[2,3-b][1,4]thiazine (PubChem CID 90902293) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-benzyl-3H-thieno[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name6-benzyl-3H-thieno[2,3-b][1,4]thiazine
PubChem CID90902293
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC Name6-benzyl-3H-thieno[2,3-b][1,4]thiazine
SMILESC1=Nc2cc(Cc3ccccc3)sc2SC1
InChIInChI=1S/C13H11NS2/c1-2-4-10(5-3-1)8-11-9-12-13(16-11)15-7-6-14-12/h1-6,9H,7-8H2
InChIKeyULAZKMWFKOLFIX-UHFFFAOYSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3H-thieno[2,3-b][1,4]thiazine?
The IUPAC name of 6-benzyl-3H-thieno[2,3-b][1,4]thiazine (CID 90902293) is 6-benzyl-3H-thieno[2,3-b][1,4]thiazine.
What is the SMILES notation for 6-benzyl-3H-thieno[2,3-b][1,4]thiazine?
The canonical SMILES for 6-benzyl-3H-thieno[2,3-b][1,4]thiazine is C1=Nc2cc(Cc3ccccc3)sc2SC1.
What is the InChIKey of 6-benzyl-3H-thieno[2,3-b][1,4]thiazine?
The InChIKey is ULAZKMWFKOLFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c1-2-4-10(5-3-1)8-11-9-12-13(16-11)15-7-6-14-12/h1-6,9H,7-8H2.
What are the key properties of 6-benzyl-3H-thieno[2,3-b][1,4]thiazine?
6-benzyl-3H-thieno[2,3-b][1,4]thiazine has a molecular weight of 245.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3H-thieno[2,3-b][1,4]thiazine is sourced from PubChem (CID 90902293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).