ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate

C10H16N2O3S — CID 126482463

IUPACethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1NCCOC
InChIInChI=1S/C10H16N2O3S/c1-4-15-10(13)8-9(11-5-6-14-3)16-7(2)12-8/h11H,4-6H2,1-3H3
InChIKeyBLIIOFFCEIXOKN-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.69
Rot. Bonds6

About ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate

ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 126482463) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID126482463
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nameethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1NCCOC
InChIInChI=1S/C10H16N2O3S/c1-4-15-10(13)8-9(11-5-6-14-3)16-7(2)12-8/h11H,4-6H2,1-3H3
InChIKeyBLIIOFFCEIXOKN-UHFFFAOYSA-N
XLogP1.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate (CID 126482463) is ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1NCCOC.
What is the InChIKey of ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is BLIIOFFCEIXOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-15-10(13)8-9(11-5-6-14-3)16-7(2)12-8/h11H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 244.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxyethylamino)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).