ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate

C11H14N4O2S — CID 63824099

IUPACethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2cscn2)c1N
InChIInChI=1S/C11H14N4O2S/c1-3-17-11(16)9-10(12)15(7(2)14-9)4-8-5-18-6-13-8/h5-6H,3-4,12H2,1-2H3
InChIKeyRGERJVKKXHSAIV-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.46
Rot. Bonds4

About ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate

ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate (PubChem CID 63824099) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
PubChem CID63824099
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2cscn2)c1N
InChIInChI=1S/C11H14N4O2S/c1-3-17-11(16)9-10(12)15(7(2)14-9)4-8-5-18-6-13-8/h5-6H,3-4,12H2,1-2H3
InChIKeyRGERJVKKXHSAIV-UHFFFAOYSA-N
XLogP1.46
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate (CID 63824099) is ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(Cc2cscn2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate?
The InChIKey is RGERJVKKXHSAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-17-11(16)9-10(12)15(7(2)14-9)4-8-5-18-6-13-8/h5-6H,3-4,12H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 63824099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).