ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate

C8H9N5O2S — CID 107649030

IUPACethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cnns2)c1N
InChIInChI=1S/C8H9N5O2S/c1-2-15-8(14)6-7(9)13(4-10-6)5-3-11-12-16-5/h3-4H,2,9H2,1H3
InChIKeyBJRQPFINOUVFBO-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.48
Rot. Bonds3

About ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate

ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate (PubChem CID 107649030) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
PubChem CID107649030
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Nameethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cnns2)c1N
InChIInChI=1S/C8H9N5O2S/c1-2-15-8(14)6-7(9)13(4-10-6)5-3-11-12-16-5/h3-4H,2,9H2,1H3
InChIKeyBJRQPFINOUVFBO-UHFFFAOYSA-N
XLogP0.48
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 42647388
ethyl 5-amino-1-(5-methyl-3-pyridinyl)imidazole-4-carboxylate
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ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645910
ethyl 5-amino-1-(3,5-dichloro-4-fluorophenyl)imidazole-4-carboxylate
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methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
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ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
CID 107531101
ethyl 5-amino-1-(3-bromo-5-methoxyphenyl)imidazole-4-carboxylate
CID 82858936
ethyl 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxylate
CID 113458027
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
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ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate (CID 107649030) is ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate is CCOC(=O)c1ncn(-c2cnns2)c1N.
What is the InChIKey of ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The InChIKey is BJRQPFINOUVFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-2-15-8(14)6-7(9)13(4-10-6)5-3-11-12-16-5/h3-4H,2,9H2,1H3.
What are the key properties of ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate has a molecular weight of 239.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate is sourced from PubChem (CID 107649030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).