[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C23H24N2O4S — CID 52537724

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)cs2)c1OC
InChIInChI=1S/C23H24N2O4S/c1-15-12-25(13-20(29-15)16-8-5-4-6-9-16)23(26)18-14-30-22(24-18)17-10-7-11-19(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3/t15-,20-/m0/s1
InChIKeyWYWYJGOQNYSHRZ-YWZLYKJASA-N
MW424.52 g/mol
LogP4.43
Rot. Bonds5

About [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 52537724) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID52537724
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)cs2)c1OC
InChIInChI=1S/C23H24N2O4S/c1-15-12-25(13-20(29-15)16-8-5-4-6-9-16)23(26)18-14-30-22(24-18)17-10-7-11-19(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3/t15-,20-/m0/s1
InChIKeyWYWYJGOQNYSHRZ-YWZLYKJASA-N
XLogP4.43
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 120625875
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
CID 51078085
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 25484027
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 52537724) is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is COc1cccc(-c2nc(C(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)cs2)c1OC.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is WYWYJGOQNYSHRZ-YWZLYKJASA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-12-25(13-20(29-15)16-8-5-4-6-9-16)23(26)18-14-30-22(24-18)17-10-7-11-19(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3/t15-,20-/m0/s1.
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 424.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 52537724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).