[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone

C20H22N2O2S — CID 7948630

IUPAC[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
SMILESCCOc1ccc(/N=C2\SCCCN2C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-5-13-25-20)19(23)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3/b21-20-
InChIKeySTSLJTICJRDMAU-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.66
Rot. Bonds4

About [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone

[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone (PubChem CID 7948630) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
PubChem CID7948630
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
SMILESCCOc1ccc(/N=C2\SCCCN2C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-5-13-25-20)19(23)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3/b21-20-
InChIKeySTSLJTICJRDMAU-MRCUWXFGSA-N
XLogP4.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.66
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-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 8781045
1-[4-[[3-(3,5-dimethylbenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943621
3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile
CID 7943512
(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 7916179
1-[4-[[3-(3,4-dichlorobenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943591
2-(4-ethoxyphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 36629430
[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
CID 7943468
1,3-benzothiazol-6-yl-[2-(2,6-dimethylphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 16549450
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947760
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
(2-benzylimino-1,3-thiazinan-3-yl)-(3-bromophenyl)methanone
CID 5020732
(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 8749122

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone (CID 7948630) is [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone is CCOc1ccc(/N=C2\SCCCN2C(=O)c2cccc(C)c2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
The InChIKey is STSLJTICJRDMAU-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-5-13-25-20)19(23)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3/b21-20-.
What are the key properties of [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone?
[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone has a molecular weight of 354.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 7948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).