3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one

C19H22N2O4S — CID 3775353

IUPAC3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1cc(C2SCCC(=O)N2Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4S/c1-23-15-10-13(11-16(24-2)18(15)25-3)19-21(17(22)7-9-26-19)12-14-6-4-5-8-20-14/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyAWLMIAYUSHPKMA-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.27
Rot. Bonds6

About 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one

3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one (PubChem CID 3775353) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
PubChem CID3775353
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1cc(C2SCCC(=O)N2Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4S/c1-23-15-10-13(11-16(24-2)18(15)25-3)19-21(17(22)7-9-26-19)12-14-6-4-5-8-20-14/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyAWLMIAYUSHPKMA-UHFFFAOYSA-N
XLogP3.27
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methoxy-1,3-benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)-1,3-thiazinan-4-one
CID 3814309
3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3303570
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
methyl 3-[4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate
CID 3700962
3-(3-imidazol-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3847585
4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702453
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702467
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3766722
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 108702404

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one (CID 3775353) is 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one is COc1cc(C2SCCC(=O)N2Cc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is AWLMIAYUSHPKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-23-15-10-13(11-16(24-2)18(15)25-3)19-21(17(22)7-9-26-19)12-14-6-4-5-8-20-14/h4-6,8,10-11,19H,7,9,12H2,1-3H3.
What are the key properties of 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one has a molecular weight of 374.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3775353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).