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

C19H22N2O4S — CID 3303570

IUPAC3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1cc(C2SCCC(=O)N2Cc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4S/c1-23-15-9-14(10-16(24-2)18(15)25-3)19-21(17(22)6-8-26-19)12-13-5-4-7-20-11-13/h4-5,7,9-11,19H,6,8,12H2,1-3H3
InChIKeyBLLANQFOPXWRJT-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.27
Rot. Bonds6

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

3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one (PubChem CID 3303570) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
PubChem CID3303570
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1cc(C2SCCC(=O)N2Cc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4S/c1-23-15-9-14(10-16(24-2)18(15)25-3)19-21(17(22)6-8-26-19)12-13-5-4-7-20-11-13/h4-5,7,9-11,19H,6,8,12H2,1-3H3
InChIKeyBLLANQFOPXWRJT-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

3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3775353
2-[4-(dimethylamino)phenyl]-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3316017
2-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3843485
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
3-(3-imidazol-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3847585
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702516
3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3862186
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702520

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one (CID 3303570) is 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one is COc1cc(C2SCCC(=O)N2Cc2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is BLLANQFOPXWRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-23-15-9-14(10-16(24-2)18(15)25-3)19-21(17(22)6-8-26-19)12-13-5-4-7-20-11-13/h4-5,7,9-11,19H,6,8,12H2,1-3H3.
What are the key properties of 3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one?
3-(pyridin-3-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-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3303570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).