N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C25H29N3O3S — CID 24640675

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCC2CN(Cc3ccccc3)CCO2)cs1
InChIInChI=1S/C25H29N3O3S/c1-2-30-23-11-7-6-10-22(23)25-27-20(18-32-25)14-24(29)26-15-21-17-28(12-13-31-21)16-19-8-4-3-5-9-19/h3-11,18,21H,2,12-17H2,1H3,(H,26,29)
InChIKeyWDDUNDHERXVKGY-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.77
Rot. Bonds9

About N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24640675) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID24640675
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCC2CN(Cc3ccccc3)CCO2)cs1
InChIInChI=1S/C25H29N3O3S/c1-2-30-23-11-7-6-10-22(23)25-27-20(18-32-25)14-24(29)26-15-21-17-28(12-13-31-21)16-19-8-4-3-5-9-19/h3-11,18,21H,2,12-17H2,1H3,(H,26,29)
InChIKeyWDDUNDHERXVKGY-UHFFFAOYSA-N
XLogP3.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 30468311
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 68881813
N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78837143
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
ethyl 2-[2-[2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 67168673
N-[(4-benzylmorpholin-2-yl)methyl]-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24576229
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 24640675) is N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCC2CN(Cc3ccccc3)CCO2)cs1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WDDUNDHERXVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-2-30-23-11-7-6-10-22(23)25-27-20(18-32-25)14-24(29)26-15-21-17-28(12-13-31-21)16-19-8-4-3-5-9-19/h3-11,18,21H,2,12-17H2,1H3,(H,26,29).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 451.59 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24640675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).