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

C16H23NO5S — CID 3505404

IUPAC3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H23NO5S/c1-19-9-8-17-13(18)7-10-23-16(17)11-5-6-12(20-2)15(22-4)14(11)21-3/h5-6,16H,7-10H2,1-4H3
InChIKeyJIPBFNMAZOFGAD-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.32
Rot. Bonds7

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

3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one (PubChem CID 3505404) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
PubChem CID3505404
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H23NO5S/c1-19-9-8-17-13(18)7-10-23-16(17)11-5-6-12(20-2)15(22-4)14(11)21-3/h5-6,16H,7-10H2,1-4H3
InChIKeyJIPBFNMAZOFGAD-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-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazinan-4-one
CID 5010150
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one (CID 3505404) is 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one is COCCN1C(=O)CCSC1c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is JIPBFNMAZOFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-19-9-8-17-13(18)7-10-23-16(17)11-5-6-12(20-2)15(22-4)14(11)21-3/h5-6,16H,7-10H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one?
3-(2-methoxyethyl)-2-(2,3,4-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-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3505404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).