[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate

C20H26N4O7S — CID 3982447

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
SMILESCCOC(=O)Cc1nc(NC(=O)COC(=O)CCCCC(=O)c2[nH]c(=O)[nH]c2C)sc1C
InChIInChI=1S/C20H26N4O7S/c1-4-30-17(28)9-13-12(3)32-20(22-13)23-15(26)10-31-16(27)8-6-5-7-14(25)18-11(2)21-19(29)24-18/h4-10H2,1-3H3,(H2,21,24,29)(H,22,23,26)
InChIKeyRTZWPSAKCSKIFC-UHFFFAOYSA-N
MW466.52 g/mol
LogP1.81
Rot. Bonds12

About [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate

[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate (PubChem CID 3982447) has the molecular formula C20H26N4O7S and a molecular weight of 466.52 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
PubChem CID3982447
Molecular FormulaC20H26N4O7S
Molecular Weight466.52 g/mol
Exact Mass466.15
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
SMILESCCOC(=O)Cc1nc(NC(=O)COC(=O)CCCCC(=O)c2[nH]c(=O)[nH]c2C)sc1C
InChIInChI=1S/C20H26N4O7S/c1-4-30-17(28)9-13-12(3)32-20(22-13)23-15(26)10-31-16(27)8-6-5-7-14(25)18-11(2)21-19(29)24-18/h4-10H2,1-3H3,(H2,21,24,29)(H,22,23,26)
InChIKeyRTZWPSAKCSKIFC-UHFFFAOYSA-N
XLogP1.81
TPSA160.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate with MolForge

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Related Compounds

(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
CID 2875932
ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 4681046
4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119295908
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130
ethyl 4,5-dimethyl-2-[(2-pentanoyloxyacetyl)amino]thiophene-3-carboxylate
CID 2628942
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate
CID 59297164
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
diethyl decanedioate;propanedioic acid
CID 174518023
ethyl 5-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
CID 14700280
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate (CID 3982447) is [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate is CCOC(=O)Cc1nc(NC(=O)COC(=O)CCCCC(=O)c2[nH]c(=O)[nH]c2C)sc1C.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The InChIKey is RTZWPSAKCSKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7S/c1-4-30-17(28)9-13-12(3)32-20(22-13)23-15(26)10-31-16(27)8-6-5-7-14(25)18-11(2)21-19(29)24-18/h4-10H2,1-3H3,(H2,21,24,29)(H,22,23,26).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate has a molecular weight of 466.52 g/mol, XLogP of 1.81, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate is sourced from PubChem (CID 3982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).