2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C19H19ClN2O2S — CID 7947850

IUPAC2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-14-7-2-4-9-16(14)21-19-22(11-6-12-25-19)18(23)13-24-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-
InChIKeyNFDJEUSAIRGFFT-VZCXRCSSSA-N
MW374.89 g/mol
LogP4.68
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 7947850) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID7947850
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-14-7-2-4-9-16(14)21-19-22(11-6-12-25-19)18(23)13-24-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-
InChIKeyNFDJEUSAIRGFFT-VZCXRCSSSA-N
XLogP4.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 8746575
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
2-(4-chloro-2-methylphenoxy)-1-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone
CID 7924117
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947760
2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948461
1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)ethanone
CID 18226084
[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
CID 7921363
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
2-(2-chlorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24655671
[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 7947771
10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
CID 16605495

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 7947850) is 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is Cc1ccccc1/N=C1\SCCCN1C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is NFDJEUSAIRGFFT-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-14-7-2-4-9-16(14)21-19-22(11-6-12-25-19)18(23)13-24-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-.
What are the key properties of 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 374.89 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 7947850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).