methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate

C9H12N2O4S — CID 110460512

IUPACmethyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOCC(=O)NCc1nc(C(=O)OC)cs1
InChIInChI=1S/C9H12N2O4S/c1-14-4-7(12)10-3-8-11-6(5-16-8)9(13)15-2/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyAIAUWDSDJMMNNF-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.19
Rot. Bonds5

About methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 110460512) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID110460512
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOCC(=O)NCc1nc(C(=O)OC)cs1
InChIInChI=1S/C9H12N2O4S/c1-14-4-7(12)10-3-8-11-6(5-16-8)9(13)15-2/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyAIAUWDSDJMMNNF-UHFFFAOYSA-N
XLogP0.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110481709
methyl 2-[[(2-amino-3-methylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110481468
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244722
methyl 2-[(pyrrolidine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110461420
methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481196
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244819
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 53407511

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 110460512) is methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate is COCC(=O)NCc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is AIAUWDSDJMMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-14-4-7(12)10-3-8-11-6(5-16-8)9(13)15-2/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 110460512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).