(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol

C11H10FNO2S — CID 145443942

IUPAC(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol
SMILESCc1nc2cc(F)c3c(c2s1)CC(CO)O3
InChIInChI=1S/C11H10FNO2S/c1-5-13-9-3-8(12)10-7(11(9)16-5)2-6(4-14)15-10/h3,6,14H,2,4H2,1H3
InChIKeyXIVNVTDFTUWHPU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.04
Rot. Bonds1

About (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol

(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol (PubChem CID 145443942) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol
PubChem CID145443942
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol
SMILESCc1nc2cc(F)c3c(c2s1)CC(CO)O3
InChIInChI=1S/C11H10FNO2S/c1-5-13-9-3-8(12)10-7(11(9)16-5)2-6(4-14)15-10/h3,6,14H,2,4H2,1H3
InChIKeyXIVNVTDFTUWHPU-UHFFFAOYSA-N
XLogP2.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol?
The IUPAC name of (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol (CID 145443942) is (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol?
The canonical SMILES for (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol is Cc1nc2cc(F)c3c(c2s1)CC(CO)O3.
What is the InChIKey of (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol?
The InChIKey is XIVNVTDFTUWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-5-13-9-3-8(12)10-7(11(9)16-5)2-6(4-14)15-10/h3,6,14H,2,4H2,1H3.
What are the key properties of (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol?
(5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol has a molecular weight of 239.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl)methanol is sourced from PubChem (CID 145443942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).