2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

C16H23NO2S — CID 4236849

IUPAC2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCCOc1ccc(C2SCCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-19-14-7-5-13(6-8-14)16-17(11-12(2)3)15(18)9-10-20-16/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyWVWYWJGGFLVMLD-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (PubChem CID 4236849) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
PubChem CID4236849
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCCOc1ccc(C2SCCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-19-14-7-5-13(6-8-14)16-17(11-12(2)3)15(18)9-10-20-16/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyWVWYWJGGFLVMLD-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3730595
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
3-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 23938288
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3281882
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
CID 3853882
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 23877584
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (CID 4236849) is 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is CCOc1ccc(C2SCCC(=O)N2CC(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The InChIKey is WVWYWJGGFLVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-19-14-7-5-13(6-8-14)16-17(11-12(2)3)15(18)9-10-20-16/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one has a molecular weight of 293.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 4236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).