ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate

C13H22N2O2S — CID 104840699

IUPACethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CNC(C)(C)C)nc1CC
InChIInChI=1S/C13H22N2O2S/c1-6-9-11(12(16)17-7-2)18-10(15-9)8-14-13(3,4)5/h14H,6-8H2,1-5H3
InChIKeyAHDMPJJLGRTTEA-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.77
Rot. Bonds5

About ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 104840699) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID104840699
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CNC(C)(C)C)nc1CC
InChIInChI=1S/C13H22N2O2S/c1-6-9-11(12(16)17-7-2)18-10(15-9)8-14-13(3,4)5/h14H,6-8H2,1-5H3
InChIKeyAHDMPJJLGRTTEA-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate (CID 104840699) is ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CNC(C)(C)C)nc1CC.
What is the InChIKey of ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is AHDMPJJLGRTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-6-9-11(12(16)17-7-2)18-10(15-9)8-14-13(3,4)5/h14H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 104840699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).