methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate

C12H16N4O2S — CID 103545147

IUPACmethyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate
SMILESCCc1nc(-n2c(C)nc(C(=O)OC)c2N)sc1C
InChIInChI=1S/C12H16N4O2S/c1-5-8-6(2)19-12(15-8)16-7(3)14-9(10(16)13)11(17)18-4/h5,13H2,1-4H3
InChIKeyUYGIWICJVRZDSF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate (PubChem CID 103545147) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate
PubChem CID103545147
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Namemethyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate
SMILESCCc1nc(-n2c(C)nc(C(=O)OC)c2N)sc1C
InChIInChI=1S/C12H16N4O2S/c1-5-8-6(2)19-12(15-8)16-7(3)14-9(10(16)13)11(17)18-4/h5,13H2,1-4H3
InChIKeyUYGIWICJVRZDSF-UHFFFAOYSA-N
XLogP1.88
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649031
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
CID 103544798
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 103545401
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate (CID 103545147) is methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate is CCc1nc(-n2c(C)nc(C(=O)OC)c2N)sc1C.
What is the InChIKey of methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate?
The InChIKey is UYGIWICJVRZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-5-8-6(2)19-12(15-8)16-7(3)14-9(10(16)13)11(17)18-4/h5,13H2,1-4H3.
What are the key properties of methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103545147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).