N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide

C12H12N2O2S — CID 20407

IUPACN-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C(c2ccccc2)CS1
InChIInChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(16)10(7-17-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14,15,16)
InChIKeyUNJUGAORBNEPNE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.54
Rot. Bonds1

About N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide

N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide (PubChem CID 20407) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
PubChem CID20407
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C(c2ccccc2)CS1
InChIInChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(16)10(7-17-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14,15,16)
InChIKeyUNJUGAORBNEPNE-UHFFFAOYSA-N
XLogP1.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide?
The IUPAC name of N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide (CID 20407) is N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide?
The canonical SMILES for N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide is CC(=O)NC1=NC(=O)C(c2ccccc2)CS1.
What is the InChIKey of N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide?
The InChIKey is UNJUGAORBNEPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(16)10(7-17-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14,15,16).
What are the key properties of N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide?
N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide is sourced from PubChem (CID 20407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).