methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate

C10H15N3O4S — CID 106241502

IUPACmethyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCOCC(N)=O)sc1C
InChIInChI=1S/C10H15N3O4S/c1-6-8(9(15)16-2)13-10(18-6)12-3-4-17-5-7(11)14/h3-5H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyPLUYWKXKHMINAR-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.15
Rot. Bonds7

About methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 106241502) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID106241502
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCOCC(N)=O)sc1C
InChIInChI=1S/C10H15N3O4S/c1-6-8(9(15)16-2)13-10(18-6)12-3-4-17-5-7(11)14/h3-5H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyPLUYWKXKHMINAR-UHFFFAOYSA-N
XLogP0.15
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106543880
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 106241505
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113307081
2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide
CID 106240152
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
methyl 2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 106241502) is methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NCCOCC(N)=O)sc1C.
What is the InChIKey of methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is PLUYWKXKHMINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6-8(9(15)16-2)13-10(18-6)12-3-4-17-5-7(11)14/h3-5H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106241502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).