(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine

C18H24N2O3S — CID 95160165

IUPAC(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
SMILESCOc1cccc(-c2nc(CN3C[C@@H](C)OC[C@H]3C)cs2)c1OC
InChIInChI=1S/C18H24N2O3S/c1-12-10-23-13(2)8-20(12)9-14-11-24-18(19-14)15-6-5-7-16(21-3)17(15)22-4/h5-7,11-13H,8-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyGHVKFZBPICORPC-CHWSQXEVSA-N
MW348.47 g/mol
LogP3.44
Rot. Bonds5

About (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine

(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine (PubChem CID 95160165) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
PubChem CID95160165
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
SMILESCOc1cccc(-c2nc(CN3C[C@@H](C)OC[C@H]3C)cs2)c1OC
InChIInChI=1S/C18H24N2O3S/c1-12-10-23-13(2)8-20(12)9-14-11-24-18(19-14)15-6-5-7-16(21-3)17(15)22-4/h5-7,11-13H,8-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyGHVKFZBPICORPC-CHWSQXEVSA-N
XLogP3.44
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 94066345
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377
4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664651
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
2-(2,3-dimethoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 30835362
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
CID 51078085
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51116154
ethyl (3S)-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylate
CID 39981170

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine?
The IUPAC name of (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine (CID 95160165) is (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine is COc1cccc(-c2nc(CN3C[C@@H](C)OC[C@H]3C)cs2)c1OC.
What is the InChIKey of (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine?
The InChIKey is GHVKFZBPICORPC-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-10-23-13(2)8-20(12)9-14-11-24-18(19-14)15-6-5-7-16(21-3)17(15)22-4/h5-7,11-13H,8-10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine?
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine has a molecular weight of 348.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 95160165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).