ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate

C13H18N4O2S — CID 79364249

IUPACethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCc1nccn1C
InChIInChI=1S/C13H18N4O2S/c1-4-19-13(18)11-9(2)16-20-12(11)15-6-5-10-14-7-8-17(10)3/h7-8,15H,4-6H2,1-3H3
InChIKeyNUYNLMXRGLKKSL-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.02
Rot. Bonds6

About ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 79364249) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID79364249
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nameethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCc1nccn1C
InChIInChI=1S/C13H18N4O2S/c1-4-19-13(18)11-9(2)16-20-12(11)15-6-5-10-14-7-8-17(10)3/h7-8,15H,4-6H2,1-3H3
InChIKeyNUYNLMXRGLKKSL-UHFFFAOYSA-N
XLogP2.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate (CID 79364249) is ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCCc1nccn1C.
What is the InChIKey of ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is NUYNLMXRGLKKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-19-13(18)11-9(2)16-20-12(11)15-6-5-10-14-7-8-17(10)3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79364249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).