2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

C13H14N2OS — CID 82059374

IUPAC2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2cc(-c3nccs3)ccc2O1
InChIInChI=1S/C13H14N2OS/c1-2-10-8-15-11-7-9(3-4-12(11)16-10)13-14-5-6-17-13/h3-7,10,15H,2,8H2,1H3
InChIKeyHJKSIMZNKJYXIG-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.39
Rot. Bonds2

About 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82059374) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82059374
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2cc(-c3nccs3)ccc2O1
InChIInChI=1S/C13H14N2OS/c1-2-10-8-15-11-7-9(3-4-12(11)16-10)13-14-5-6-17-13/h3-7,10,15H,2,8H2,1H3
InChIKeyHJKSIMZNKJYXIG-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82059374) is 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is CCC1CNc2cc(-c3nccs3)ccc2O1.
What is the InChIKey of 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is HJKSIMZNKJYXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-10-8-15-11-7-9(3-4-12(11)16-10)13-14-5-6-17-13/h3-7,10,15H,2,8H2,1H3.
What are the key properties of 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 246.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82059374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).