ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate

C12H16N4O2S — CID 63824459

IUPACethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CCc2cscn2)c1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(8(2)15-10)5-4-9-6-19-7-14-9/h6-7H,3-5,13H2,1-2H3
InChIKeyVVUVTZNGNRJCEY-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.65
Rot. Bonds5

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

ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate (PubChem CID 63824459) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
PubChem CID63824459
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Nameethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CCc2cscn2)c1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(8(2)15-10)5-4-9-6-19-7-14-9/h6-7H,3-5,13H2,1-2H3
InChIKeyVVUVTZNGNRJCEY-UHFFFAOYSA-N
XLogP1.65
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.65
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-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate (CID 63824459) is ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(CCc2cscn2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is VVUVTZNGNRJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(8(2)15-10)5-4-9-6-19-7-14-9/h6-7H,3-5,13H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.65, 5 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-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 63824459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).