2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

C14H16N2OS — CID 82059322

IUPAC2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2cc(-c3ncsc3C)ccc2O1
InChIInChI=1S/C14H16N2OS/c1-3-11-7-15-12-6-10(4-5-13(12)17-11)14-9(2)18-8-16-14/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyHXJRUCOLVVGNML-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.70
Rot. Bonds2

About 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82059322) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82059322
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2cc(-c3ncsc3C)ccc2O1
InChIInChI=1S/C14H16N2OS/c1-3-11-7-15-12-6-10(4-5-13(12)17-11)14-9(2)18-8-16-14/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyHXJRUCOLVVGNML-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82059322) is 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is CCC1CNc2cc(-c3ncsc3C)ccc2O1.
What is the InChIKey of 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is HXJRUCOLVVGNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-11-7-15-12-6-10(4-5-13(12)17-11)14-9(2)18-8-16-14/h4-6,8,11,15H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 260.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82059322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).