ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate

C13H19N3O2S — CID 61498662

IUPACethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H19N3O2S/c1-5-18-12(17)10(4)14-6-11-9(3)15-13-16(11)8(2)7-19-13/h7,10,14H,5-6H2,1-4H3
InChIKeyGTBWBOBVSYWPGA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate

ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate (PubChem CID 61498662) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
PubChem CID61498662
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H19N3O2S/c1-5-18-12(17)10(4)14-6-11-9(3)15-13-16(11)8(2)7-19-13/h7,10,14H,5-6H2,1-4H3
InChIKeyGTBWBOBVSYWPGA-UHFFFAOYSA-N
XLogP2.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate (CID 61498662) is ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1c(C)nc2scc(C)n12.
What is the InChIKey of ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate?
The InChIKey is GTBWBOBVSYWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-5-18-12(17)10(4)14-6-11-9(3)15-13-16(11)8(2)7-19-13/h7,10,14H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate?
ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate has a molecular weight of 281.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate is sourced from PubChem (CID 61498662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).