2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C18H23N3O2S — CID 99106971

IUPAC2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESC[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)[C@@H](C)CO1
InChIInChI=1S/C18H23N3O2S/c1-13-11-23-14(2)9-21(13)10-16-12-24-18(20-16)8-17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyQQZMPUORVAPYPW-UONOGXRCSA-N
MW345.47 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 99106971) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID99106971
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESC[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)[C@@H](C)CO1
InChIInChI=1S/C18H23N3O2S/c1-13-11-23-14(2)9-21(13)10-16-12-24-18(20-16)8-17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyQQZMPUORVAPYPW-UONOGXRCSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664651
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 111495984
(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 94066345
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 167753812
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 126801664
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942946
2-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 11940369
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 99106971) is 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is C[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)[C@@H](C)CO1.
What is the InChIKey of 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is QQZMPUORVAPYPW-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-11-23-14(2)9-21(13)10-16-12-24-18(20-16)8-17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t13-,14+/m0/s1.
What are the key properties of 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 99106971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).