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

C11H14N4O2S — CID 63824460

IUPACethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCc2cscn2)c1N
InChIInChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(12)15(6-13-9)4-3-8-5-18-7-14-8/h5-7H,2-4,12H2,1H3
InChIKeyZWUJLGRAGYGBLR-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.34
Rot. Bonds5

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

ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate (PubChem CID 63824460) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
PubChem CID63824460
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCc2cscn2)c1N
InChIInChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(12)15(6-13-9)4-3-8-5-18-7-14-8/h5-7H,2-4,12H2,1H3
InChIKeyZWUJLGRAGYGBLR-UHFFFAOYSA-N
XLogP1.34
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824459
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CID 63240207
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
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ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
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ethyl 5-amino-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
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ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
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ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
CID 106338375
ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
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ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 79401168

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate (CID 63824460) is ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCc2cscn2)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is ZWUJLGRAGYGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(12)15(6-13-9)4-3-8-5-18-7-14-8/h5-7H,2-4,12H2,1H3.
What are the key properties of ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 63824460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).