[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone

C20H22N2O3S — CID 8781045

IUPAC[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
SMILESCOc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H22N2O3S/c1-14-6-4-7-15(12-14)19(23)22-10-5-11-26-20(22)21-17-13-16(24-2)8-9-18(17)25-3/h4,6-9,12-13H,5,10-11H2,1-3H3/b21-20-
InChIKeyWGWJVIMNADFORW-MRCUWXFGSA-N
MW370.47 g/mol
LogP4.28
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone

[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone (PubChem CID 8781045) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
PubChem CID8781045
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
SMILESCOc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H22N2O3S/c1-14-6-4-7-15(12-14)19(23)22-10-5-11-26-20(22)21-17-13-16(24-2)8-9-18(17)25-3/h4,6-9,12-13H,5,10-11H2,1-3H3/b21-20-
InChIKeyWGWJVIMNADFORW-MRCUWXFGSA-N
XLogP4.28
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 7948630
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]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4276212
1-benzofuran-2-yl-[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 2649696
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-nitrophenyl)methanone
CID 3688656
1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-2-(4-methoxyphenyl)ethanone
CID 3971741
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 7947716
(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 7916179
[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
CID 7943468
2-[3-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]isoindole-1,3-dione
CID 3275380
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-[4-[[3-(3,5-dimethylbenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943621

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone (CID 8781045) is [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone is COc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2cccc(C)c2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The InChIKey is WGWJVIMNADFORW-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-6-4-7-15(12-14)19(23)22-10-5-11-26-20(22)21-17-13-16(24-2)8-9-18(17)25-3/h4,6-9,12-13H,5,10-11H2,1-3H3/b21-20-.
What are the key properties of [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone has a molecular weight of 370.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 8781045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).