[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate

C24H23N3O5S — CID 27736090

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c28-20(15-19-16-33-24(25-19)26-22(29)18-9-5-2-6-10-18)32-21(17-7-3-1-4-8-17)23(30)27-11-13-31-14-12-27/h1-10,16,21H,11-15H2,(H,25,26,29)/t21-/m0/s1
InChIKeyYMNKVWJZNFPHPM-NRFANRHFSA-N
MW465.53 g/mol
LogP3.08
Rot. Bonds7

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate (PubChem CID 27736090) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
PubChem CID27736090
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c28-20(15-19-16-33-24(25-19)26-22(29)18-9-5-2-6-10-18)32-21(17-7-3-1-4-8-17)23(30)27-11-13-31-14-12-27/h1-10,16,21H,11-15H2,(H,25,26,29)/t21-/m0/s1
InChIKeyYMNKVWJZNFPHPM-NRFANRHFSA-N
XLogP3.08
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736093
N-[4-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134011094
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 86856851
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 59698895
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632606
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate (CID 27736090) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(NC(=O)c2ccccc2)n1)O[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The InChIKey is YMNKVWJZNFPHPM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O5S/c28-20(15-19-16-33-24(25-19)26-22(29)18-9-5-2-6-10-18)32-21(17-7-3-1-4-8-17)23(30)27-11-13-31-14-12-27/h1-10,16,21H,11-15H2,(H,25,26,29)/t21-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate has a molecular weight of 465.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 27736090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).