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

C10H13N5O2S — CID 107645921

IUPACethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2nncs2)c1N
InChIInChI=1S/C10H13N5O2S/c1-3-6-13-7(9(16)17-4-2)8(11)15(6)10-14-12-5-18-10/h5H,3-4,11H2,1-2H3
InChIKeyXIVISQLJBKDVGP-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.05
Rot. Bonds4

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

ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate (PubChem CID 107645921) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
PubChem CID107645921
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Nameethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2nncs2)c1N
InChIInChI=1S/C10H13N5O2S/c1-3-6-13-7(9(16)17-4-2)8(11)15(6)10-14-12-5-18-10/h5H,3-4,11H2,1-2H3
InChIKeyXIVISQLJBKDVGP-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

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methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
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ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
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ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
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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
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate (CID 107645921) is ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(-c2nncs2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is XIVISQLJBKDVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-6-13-7(9(16)17-4-2)8(11)15(6)10-14-12-5-18-10/h5H,3-4,11H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(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-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 107645921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).