2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

C14H9FN2OS2 — CID 46869391

IUPAC2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(F)s3)cn12
InChIInChI=1S/C14H9FN2OS2/c1-18-8-2-3-10-12(6-8)20-14-16-9(7-17(10)14)11-4-5-13(15)19-11/h2-7H,1H3
InChIKeyBDICBMKHIBVDBF-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.43
Rot. Bonds2

About 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (PubChem CID 46869391) has the molecular formula C14H9FN2OS2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
PubChem CID46869391
Molecular FormulaC14H9FN2OS2
Molecular Weight304.37 g/mol
Exact Mass304.01
IUPAC Name2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(F)s3)cn12
InChIInChI=1S/C14H9FN2OS2/c1-18-8-2-3-10-12(6-8)20-14-16-9(7-17(10)14)11-4-5-13(15)19-11/h2-7H,1H3
InChIKeyBDICBMKHIBVDBF-UHFFFAOYSA-N
XLogP4.43
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (CID 46869391) is 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3ccc(F)s3)cn12.
What is the InChIKey of 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is BDICBMKHIBVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS2/c1-18-8-2-3-10-12(6-8)20-14-16-9(7-17(10)14)11-4-5-13(15)19-11/h2-7H,1H3.
What are the key properties of 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 304.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-2-yl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 46869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).