1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H16N2O2S — CID 71869124

IUPAC1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2c3ccccc3OCC2C)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-8-19-14-6-4-3-5-13(14)17(10)15(18)7-12-9-20-11(2)16-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRHNSJSGKWFTTKY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 71869124) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID71869124
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2c3ccccc3OCC2C)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-8-19-14-6-4-3-5-13(14)17(10)15(18)7-12-9-20-11(2)16-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRHNSJSGKWFTTKY-UHFFFAOYSA-N
XLogP2.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 71869124) is 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2c3ccccc3OCC2C)cs1.
What is the InChIKey of 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RHNSJSGKWFTTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-8-19-14-6-4-3-5-13(14)17(10)15(18)7-12-9-20-11(2)16-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 288.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 71869124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).