(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol

C11H9FN2OS — CID 21256466

IUPAC(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
SMILESCc1nc2sc3cc(F)ccc3n2c1CO
InChIInChI=1S/C11H9FN2OS/c1-6-9(5-15)14-8-3-2-7(12)4-10(8)16-11(14)13-6/h2-4,15H,5H2,1H3
InChIKeyXZLBDRLOWONMKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.49
Rot. Bonds1

About (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol

(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol (PubChem CID 21256466) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
PubChem CID21256466
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
SMILESCc1nc2sc3cc(F)ccc3n2c1CO
InChIInChI=1S/C11H9FN2OS/c1-6-9(5-15)14-8-3-2-7(12)4-10(8)16-11(14)13-6/h2-4,15H,5H2,1H3
InChIKeyXZLBDRLOWONMKD-UHFFFAOYSA-N
XLogP2.49
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The IUPAC name of (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol (CID 21256466) is (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol.
What is the SMILES notation for (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The canonical SMILES for (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol is Cc1nc2sc3cc(F)ccc3n2c1CO.
What is the InChIKey of (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The InChIKey is XZLBDRLOWONMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-6-9(5-15)14-8-3-2-7(12)4-10(8)16-11(14)13-6/h2-4,15H,5H2,1H3.
What are the key properties of (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol has a molecular weight of 236.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol is sourced from PubChem (CID 21256466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).