[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C19H23N3O5S — CID 24687399

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-13-28-19(25)22(14)7-6-18(24)27-12-17(23)20-15-2-4-16(5-3-15)21-8-10-26-11-9-21/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyONGZFWSOLDYVNW-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.63
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 24687399) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID24687399
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-13-28-19(25)22(14)7-6-18(24)27-12-17(23)20-15-2-4-16(5-3-15)21-8-10-26-11-9-21/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyONGZFWSOLDYVNW-UHFFFAOYSA-N
XLogP1.63
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] 2-(morpholine-4-carbothioylsulfanyl)acetate
CID 2535981
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 16281359
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980306
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
CID 535662
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[2-(3,5-Dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 4789746
[1-Oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687633
2-(2,4-dioxo-3-thiazolidinyl)-N-[4-(4-morpholinyl)phenyl]acetamide
CID 649187
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25162829
2-(diphenylamino)-2-oxoethyl N-acetylmethioninate
CID 2909374
[2-(3-Cyanoanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 8011011
(2-Anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9112198

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 24687399) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is ONGZFWSOLDYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-13-28-19(25)22(14)7-6-18(24)27-12-17(23)20-15-2-4-16(5-3-15)21-8-10-26-11-9-21/h2-5,13H,6-12H2,1H3,(H,20,23).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 405.48 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 24687399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).