ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate

C9H11N3O2S — CID 13426063

IUPACethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
SMILESCCOC(=O)Cc1cn2nc(C)sc2n1
InChIInChI=1S/C9H11N3O2S/c1-3-14-8(13)4-7-5-12-9(10-7)15-6(2)11-12/h5H,3-4H2,1-2H3
InChIKeyFZYFTXVNJYJCGC-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.20
Rot. Bonds3

About ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate

ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate (PubChem CID 13426063) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
PubChem CID13426063
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Nameethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
SMILESCCOC(=O)Cc1cn2nc(C)sc2n1
InChIInChI=1S/C9H11N3O2S/c1-3-14-8(13)4-7-5-12-9(10-7)15-6(2)11-12/h5H,3-4H2,1-2H3
InChIKeyFZYFTXVNJYJCGC-UHFFFAOYSA-N
XLogP1.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658
ethyl 2-(1-methylimidazol-4-yl)acetate
CID 77134384
ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659111
ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659114
ethyl 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetate
CID 10513068
ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
CID 110853943
ethyl 2-[6-(4-nitrophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659110
ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
CID 83966576
ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 112670102
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 157016835
ethyl 2-pyrazolo[1,5-a]pyridin-2-ylacetate
CID 86117468
ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
CID 61012930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate?
The IUPAC name of ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate (CID 13426063) is ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate is CCOC(=O)Cc1cn2nc(C)sc2n1.
What is the InChIKey of ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate?
The InChIKey is FZYFTXVNJYJCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-3-14-8(13)4-7-5-12-9(10-7)15-6(2)11-12/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate?
ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate has a molecular weight of 225.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate is sourced from PubChem (CID 13426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).