ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

C13H12N2O3S — CID 43464958

IUPACethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3ccco3)cn12
InChIInChI=1S/C13H12N2O3S/c1-2-17-12(16)6-9-8-19-13-14-10(7-15(9)13)11-4-3-5-18-11/h3-5,7-8H,2,6H2,1H3
InChIKeyCTAJKQLJWIZNAN-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.76
Rot. Bonds4

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

ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 43464958) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID43464958
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3ccco3)cn12
InChIInChI=1S/C13H12N2O3S/c1-2-17-12(16)6-9-8-19-13-14-10(7-15(9)13)11-4-3-5-18-11/h3-5,7-8H,2,6H2,1H3
InChIKeyCTAJKQLJWIZNAN-UHFFFAOYSA-N
XLogP2.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 43464958) is ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is CCOC(=O)Cc1csc2nc(-c3ccco3)cn12.
What is the InChIKey of ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is CTAJKQLJWIZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-17-12(16)6-9-8-19-13-14-10(7-15(9)13)11-4-3-5-18-11/h3-5,7-8H,2,6H2,1H3.
What are the key properties of ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 276.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is sourced from PubChem (CID 43464958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).