1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone

C13H16N2OS — CID 83188479

IUPAC1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NC(C)CCS2)cc1
InChIInChI=1S/C13H16N2OS/c1-9-7-8-17-13(14-9)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyOIWJJWDDNCDFKV-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone

1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone (PubChem CID 83188479) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
PubChem CID83188479
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NC(C)CCS2)cc1
InChIInChI=1S/C13H16N2OS/c1-9-7-8-17-13(14-9)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyOIWJJWDDNCDFKV-UHFFFAOYSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone (CID 83188479) is 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NC2=NC(C)CCS2)cc1.
What is the InChIKey of 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone?
The InChIKey is OIWJJWDDNCDFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-7-8-17-13(14-9)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone?
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone has a molecular weight of 248.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 83188479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).