ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C9H10N2O2S — CID 853574

IUPACethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCOC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3
InChIKeyDSVFDEWSKWCGEY-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.50
Rot. Bonds3

About ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 853574) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Nameethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID853574
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCOC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3
InChIKeyDSVFDEWSKWCGEY-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 853574) is ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is CCOC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is DSVFDEWSKWCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 210.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 853574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).