2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C20H21FN2O2S — CID 3350304

IUPAC2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCOc1ccc(C)cc1/N=C1\SCCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H21FN2O2S/c1-14-8-9-18(25-2)17(12-14)22-20-23(10-5-11-26-20)19(24)13-15-6-3-4-7-16(15)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3/b22-20-
InChIKeyFVXYVDPGBPFUSC-XDOYNYLZSA-N
MW372.47 g/mol
LogP4.34
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 3350304) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID3350304
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCOc1ccc(C)cc1/N=C1\SCCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H21FN2O2S/c1-14-8-9-18(25-2)17(12-14)22-20-23(10-5-11-26-20)19(24)13-15-6-3-4-7-16(15)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3/b22-20-
InChIKeyFVXYVDPGBPFUSC-XDOYNYLZSA-N
XLogP4.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.34
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

1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-2-(4-methoxyphenyl)ethanone
CID 3971741
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947760
2-[3-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]isoindole-1,3-dione
CID 3275380
1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 3380810
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-nitrophenyl)methanone
CID 3688656
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 7947716
[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 8781045
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4276212
1-benzofuran-2-yl-[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 2649696
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
CID 7943468
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78806237

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 3350304) is 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is COc1ccc(C)cc1/N=C1\SCCCN1C(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is FVXYVDPGBPFUSC-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-14-8-9-18(25-2)17(12-14)22-20-23(10-5-11-26-20)19(24)13-15-6-3-4-7-16(15)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3/b22-20-.
What are the key properties of 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 3350304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).