ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate

C16H20N4O4S2 — CID 167901227

IUPACethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)Cc2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C16H20N4O4S2/c1-2-24-14(22)8-12-9-17-15(26-12)19-13(21)7-11-10-25-16(18-11)20-3-5-23-6-4-20/h9-10H,2-8H2,1H3,(H,17,19,21)
InChIKeyARLFQUWPUBTRSB-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.72
Rot. Bonds7

About ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate (PubChem CID 167901227) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
PubChem CID167901227
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Nameethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)Cc2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C16H20N4O4S2/c1-2-24-14(22)8-12-9-17-15(26-12)19-13(21)7-11-10-25-16(18-11)20-3-5-23-6-4-20/h9-10H,2-8H2,1H3,(H,17,19,21)
InChIKeyARLFQUWPUBTRSB-UHFFFAOYSA-N
XLogP1.72
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate
CID 2772551
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 154784296
4-ethyl-N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-5-propylthiophene-2-carbohydrazide
CID 9278398
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103250
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
ethyl 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetate
CID 80576722
ethyl 2-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574460
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate (CID 167901227) is ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(NC(=O)Cc2csc(N3CCOCC3)n2)s1.
What is the InChIKey of ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate?
The InChIKey is ARLFQUWPUBTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-2-24-14(22)8-12-9-17-15(26-12)19-13(21)7-11-10-25-16(18-11)20-3-5-23-6-4-20/h9-10H,2-8H2,1H3,(H,17,19,21).
What are the key properties of ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate has a molecular weight of 396.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 167901227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).