6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole

C15H11FN2O2S — CID 59282839

IUPAC6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESFCCOc1ccc2c(c1)sc1nc(-c3ccco3)cn12
InChIInChI=1S/C15H11FN2O2S/c16-5-7-19-10-3-4-12-14(8-10)21-15-17-11(9-18(12)15)13-2-1-6-20-13/h1-4,6,8-9H,5,7H2
InChIKeyHERLSNJSBCJFNK-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.16
Rot. Bonds4

About 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole

6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 59282839) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID59282839
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESFCCOc1ccc2c(c1)sc1nc(-c3ccco3)cn12
InChIInChI=1S/C15H11FN2O2S/c16-5-7-19-10-3-4-12-14(8-10)21-15-17-11(9-18(12)15)13-2-1-6-20-13/h1-4,6,8-9H,5,7H2
InChIKeyHERLSNJSBCJFNK-UHFFFAOYSA-N
XLogP4.16
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 59282839) is 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole is FCCOc1ccc2c(c1)sc1nc(-c3ccco3)cn12.
What is the InChIKey of 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HERLSNJSBCJFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-5-7-19-10-3-4-12-14(8-10)21-15-17-11(9-18(12)15)13-2-1-6-20-13/h1-4,6,8-9H,5,7H2.
What are the key properties of 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 302.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 59282839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).