ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate

C13H17N3O3S — CID 61012930

IUPACethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N3O3S/c1-3-15(9-12(18)19-4-2)11(17)7-10-8-16-5-6-20-13(16)14-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyZWBXJWQOSFSLFI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate

ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate (PubChem CID 61012930) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
PubChem CID61012930
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Nameethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N3O3S/c1-3-15(9-12(18)19-4-2)11(17)7-10-8-16-5-6-20-13(16)14-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyZWBXJWQOSFSLFI-UHFFFAOYSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 31016301
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915385
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 70765723
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 16673658
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
ethyl 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)benzoate
CID 5061557
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate (CID 61012930) is ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate is CCOC(=O)CN(CC)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate?
The InChIKey is ZWBXJWQOSFSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-15(9-12(18)19-4-2)11(17)7-10-8-16-5-6-20-13(16)14-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate?
ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate has a molecular weight of 295.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate is sourced from PubChem (CID 61012930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).