[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate

C18H20N2O6S — CID 9139375

IUPAC[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)CCOc2cccc(C)c2)n1
InChIInChI=1S/C18H20N2O6S/c1-12-4-3-5-14(8-12)25-7-6-16(22)26-10-15(21)20-18-19-13(11-27-18)9-17(23)24-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeySJVZHMFFINQZLK-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.12
Rot. Bonds9

About [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate

[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (PubChem CID 9139375) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
PubChem CID9139375
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)CCOc2cccc(C)c2)n1
InChIInChI=1S/C18H20N2O6S/c1-12-4-3-5-14(8-12)25-7-6-16(22)26-10-15(21)20-18-19-13(11-27-18)9-17(23)24-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeySJVZHMFFINQZLK-UHFFFAOYSA-N
XLogP2.12
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139426
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600352
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 9141010
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139425
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (CID 9139375) is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate is COC(=O)Cc1csc(NC(=O)COC(=O)CCOc2cccc(C)c2)n1.
What is the InChIKey of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The InChIKey is SJVZHMFFINQZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-4-3-5-14(8-12)25-7-6-16(22)26-10-15(21)20-18-19-13(11-27-18)9-17(23)24-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate has a molecular weight of 392.43 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 9139375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).