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

C12H14N2OS — CID 2384537

IUPAC1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)14-12-13-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyKTABGNRIOKVTMS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.79
Rot. Bonds2

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

1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone (PubChem CID 2384537) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone
PubChem CID2384537
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)14-12-13-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyKTABGNRIOKVTMS-UHFFFAOYSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone (CID 2384537) is 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone is CC(=O)c1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone?
The InChIKey is KTABGNRIOKVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(15)10-3-5-11(6-4-10)14-12-13-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone?
1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone has a molecular weight of 234.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 2384537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).