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

C8H11N3O3S — CID 70845802

IUPACmethyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC(N)=O)n1
InChIInChI=1S/C8H11N3O3S/c1-11(3-6(9)12)8-10-5(4-15-8)7(13)14-2/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyUNQCTKAGQPNHLC-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.15
Rot. Bonds4

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

methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 70845802) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
PubChem CID70845802
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC(N)=O)n1
InChIInChI=1S/C8H11N3O3S/c1-11(3-6(9)12)8-10-5(4-15-8)7(13)14-2/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyUNQCTKAGQPNHLC-UHFFFAOYSA-N
XLogP-0.15
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307307
methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 115423481
methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
CID 103192406
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate (CID 70845802) is methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)CC(N)=O)n1.
What is the InChIKey of methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is UNQCTKAGQPNHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-11(3-6(9)12)8-10-5(4-15-8)7(13)14-2/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 229.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 70845802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).