3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one

C16H23NO5S — CID 5146903

IUPAC3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-19-7-6-17-14(18)5-8-23-16(17)15-12(21-3)9-11(20-2)10-13(15)22-4/h9-10,16H,5-8H2,1-4H3
InChIKeyJPIIVKAKKYOZIB-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.32
Rot. Bonds7

About 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one

3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one (PubChem CID 5146903) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
PubChem CID5146903
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-19-7-6-17-14(18)5-8-23-16(17)15-12(21-3)9-11(20-2)10-13(15)22-4/h9-10,16H,5-8H2,1-4H3
InChIKeyJPIIVKAKKYOZIB-UHFFFAOYSA-N
XLogP2.32
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3846130
3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3505404
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3846144
3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanenitrile
CID 4987874
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
CID 4987525
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazinan-4-one
CID 3717364
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23939955

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one (CID 5146903) is 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one is COCCN1C(=O)CCSC1c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is JPIIVKAKKYOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-19-7-6-17-14(18)5-8-23-16(17)15-12(21-3)9-11(20-2)10-13(15)22-4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one?
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one has a molecular weight of 341.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 5146903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).