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

C9H11N5O2S — CID 107649031

IUPACmethyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cnns1
InChIInChI=1S/C9H11N5O2S/c1-3-5-12-7(9(15)16-2)8(10)14(5)6-4-11-13-17-6/h4H,3,10H2,1-2H3
InChIKeyGJUHQKYWMNATLD-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.65
Rot. Bonds3

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

methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate (PubChem CID 107649031) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
PubChem CID107649031
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Namemethyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cnns1
InChIInChI=1S/C9H11N5O2S/c1-3-5-12-7(9(15)16-2)8(10)14(5)6-4-11-13-17-6/h4H,3,10H2,1-2H3
InChIKeyGJUHQKYWMNATLD-UHFFFAOYSA-N
XLogP0.65
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649030
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate (CID 107649031) is methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1-c1cnns1.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
The InChIKey is GJUHQKYWMNATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-3-5-12-7(9(15)16-2)8(10)14(5)6-4-11-13-17-6/h4H,3,10H2,1-2H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate has a molecular weight of 253.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate is sourced from PubChem (CID 107649031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).