ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate

C17H21N3O5S2 — CID 42534947

IUPACethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1C
InChIInChI=1S/C17H21N3O5S2/c1-3-25-16(23)14-10(2)8-13(27-14)18-12(21)9-11-15(22)19-17(26-11)20-4-6-24-7-5-20/h8,11H,3-7,9H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyQDLWIKGTXKWBDF-LLVKDONJSA-N
MW411.51 g/mol
LogP1.89
Rot. Bonds5

About ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 42534947) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate
PubChem CID42534947
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Nameethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1C
InChIInChI=1S/C17H21N3O5S2/c1-3-25-16(23)14-10(2)8-13(27-14)18-12(21)9-11-15(22)19-17(26-11)20-4-6-24-7-5-20/h8,11H,3-7,9H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyQDLWIKGTXKWBDF-LLVKDONJSA-N
XLogP1.89
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 8002047
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9005741
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
ethyl 3-methyl-5-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55739127
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate (CID 42534947) is ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is QDLWIKGTXKWBDF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-3-25-16(23)14-10(2)8-13(27-14)18-12(21)9-11-15(22)19-17(26-11)20-4-6-24-7-5-20/h8,11H,3-7,9H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 42534947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).