3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one

C17H19NO3S2 — CID 3585616

IUPAC3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
SMILESCOc1cc(CN2C(=O)CCSC2c2ccsc2)cc(OC)c1
InChIInChI=1S/C17H19NO3S2/c1-20-14-7-12(8-15(9-14)21-2)10-18-16(19)4-6-23-17(18)13-3-5-22-11-13/h3,5,7-9,11,17H,4,6,10H2,1-2H3
InChIKeySAAJZOOVXDHCKP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.93
Rot. Bonds5

About 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one

3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one (PubChem CID 3585616) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
PubChem CID3585616
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
SMILESCOc1cc(CN2C(=O)CCSC2c2ccsc2)cc(OC)c1
InChIInChI=1S/C17H19NO3S2/c1-20-14-7-12(8-15(9-14)21-2)10-18-16(19)4-6-23-17(18)13-3-5-22-11-13/h3,5,7-9,11,17H,4,6,10H2,1-2H3
InChIKeySAAJZOOVXDHCKP-UHFFFAOYSA-N
XLogP3.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,5-dimethoxyphenyl)methyl]-2-(8-hydroxyquinolin-2-yl)-1,3-thiazinan-4-one
CID 3780401
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
3-[(4-methoxyphenyl)methyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3729421
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
3-[(3-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)-1,3-thiazinan-4-one
CID 3742714
3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3303570
3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 4987991
3-[(3,5-dimethoxyphenyl)methyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3364686
3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3447605
3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3775353
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 174760187

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one (CID 3585616) is 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one is COc1cc(CN2C(=O)CCSC2c2ccsc2)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one?
The InChIKey is SAAJZOOVXDHCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-20-14-7-12(8-15(9-14)21-2)10-18-16(19)4-6-23-17(18)13-3-5-22-11-13/h3,5,7-9,11,17H,4,6,10H2,1-2H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one?
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one has a molecular weight of 349.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one is sourced from PubChem (CID 3585616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).