ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate

C10H13N5O2S — CID 107645910

IUPACethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2nnc(CC)s2)c1N
InChIInChI=1S/C10H13N5O2S/c1-3-6-13-14-10(18-6)15-5-12-7(8(15)11)9(16)17-4-2/h5H,3-4,11H2,1-2H3
InChIKeyOUICNQISSBLJNZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.05
Rot. Bonds4

About ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate

ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate (PubChem CID 107645910) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
PubChem CID107645910
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Nameethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2nnc(CC)s2)c1N
InChIInChI=1S/C10H13N5O2S/c1-3-6-13-14-10(18-6)15-5-12-7(8(15)11)9(16)17-4-2/h5H,3-4,11H2,1-2H3
InChIKeyOUICNQISSBLJNZ-UHFFFAOYSA-N
XLogP1.05
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649030
ethyl 5-amino-1-(5-methyl-3-pyridinyl)imidazole-4-carboxylate
CID 107586542
ethyl 5-amino-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxylate
CID 82221624
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 5-amino-1-(3,5-dichloro-4-fluorophenyl)imidazole-4-carboxylate
CID 107577886
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
CID 53418332
ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 63240207
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate (CID 107645910) is ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate is CCOC(=O)c1ncn(-c2nnc(CC)s2)c1N.
What is the InChIKey of ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is OUICNQISSBLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-6-13-14-10(18-6)15-5-12-7(8(15)11)9(16)17-4-2/h5H,3-4,11H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 107645910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).