2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C18H16Cl2N2OS — CID 7948452

IUPAC2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H16Cl2N2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-
InChIKeyBBVLTMPOESGIHA-UZYVYHOESA-N
MW379.31 g/mol
LogP5.19
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 7948452) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID7948452
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H16Cl2N2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-
InChIKeyBBVLTMPOESGIHA-UZYVYHOESA-N
XLogP5.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 55.19
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-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948461
1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 56693082
(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 832819
1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one
CID 42906262
2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947850
[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
CID 7921363
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
1-[2-(4-acetylphenyl)imino-1,3-thiazinan-3-yl]-2-naphthalen-1-yloxyethanone
CID 8895629
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293
2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone
CID 7916524
[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
CID 2475888
2-(4-bromophenoxy)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]ethanone
CID 4018399

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 7948452) is 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is BBVLTMPOESGIHA-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 379.31 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 7948452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).