1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C12H14N2OS — CID 2426852

IUPAC1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESCC(=O)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-10(15)14-8-5-9-16-12(14)13-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b13-12-
InChIKeyWBTXDACVNVIZBS-SEYXRHQNSA-N
MW234.32 g/mol
LogP2.66
Rot. Bonds1

About 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 2426852) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID2426852
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESCC(=O)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-10(15)14-8-5-9-16-12(14)13-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b13-12-
InChIKeyWBTXDACVNVIZBS-SEYXRHQNSA-N
XLogP2.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-2-oxoethyl N'-cyano-N-(2-fluorophenyl)carbamimidothioate
CID 660825
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
CID 100235
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
3-Thiomorpholinone, 6-methyl-4-phenyl-
CID 2952867
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798
7-[(N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4360196
(Z)-methyl 5,5-dimethyl-2-(phenylimino)-1,3-thiazinane-3-carbodithioate
CID 44441194
2-[(Z)-4-Fluoro-phenylimino]-3-methyl-thiazolidin-4-one
CID 1495114
1-[3-(4-Methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one
CID 2381300
2-(2-Isopropylphenyl)imino-3-propionyl-5,5-dimethyl-1,3-thiazine
CID 12146780
3-(3-Morpholinopropyl)-2-(phenylimino)-4-thiazolidinone
CID 3043420
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(4-fluoro-phenyl)-acetamide
CID 645966

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 2426852) is 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is CC(=O)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is WBTXDACVNVIZBS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-10(15)14-8-5-9-16-12(14)13-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b13-12-.
What are the key properties of 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 234.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 2426852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).