ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

C13H19N3O3S — CID 645199

IUPACethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C13H19N3O3S/c1-2-19-13(18)11-9(14)10(16-20-11)12(17)15-8-6-4-3-5-7-8/h8H,2-7,14H2,1H3,(H,15,17)
InChIKeyFBUJSKXPEAGQDF-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.96
Rot. Bonds4

About ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 645199) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID645199
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C13H19N3O3S/c1-2-19-13(18)11-9(14)10(16-20-11)12(17)15-8-6-4-3-5-7-8/h8H,2-7,14H2,1H3,(H,15,17)
InChIKeyFBUJSKXPEAGQDF-UHFFFAOYSA-N
XLogP1.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 645199) is ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N.
What is the InChIKey of ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is FBUJSKXPEAGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-19-13(18)11-9(14)10(16-20-11)12(17)15-8-6-4-3-5-7-8/h8H,2-7,14H2,1H3,(H,15,17).
What are the key properties of ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 645199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).