4-(1,3-benzothiazol-6-yl)-2-fluorophenol

C13H8FNOS — CID 59282946

IUPAC4-(1,3-benzothiazol-6-yl)-2-fluorophenol
SMILESOc1ccc(-c2ccc3ncsc3c2)cc1F
InChIInChI=1S/C13H8FNOS/c14-10-5-8(2-4-12(10)16)9-1-3-11-13(6-9)17-7-15-11/h1-7,16H
InChIKeyMRFPGESQZHFOEO-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.81
Rot. Bonds1

About 4-(1,3-benzothiazol-6-yl)-2-fluorophenol

4-(1,3-benzothiazol-6-yl)-2-fluorophenol (PubChem CID 59282946) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yl)-2-fluorophenol
PubChem CID59282946
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name4-(1,3-benzothiazol-6-yl)-2-fluorophenol
SMILESOc1ccc(-c2ccc3ncsc3c2)cc1F
InChIInChI=1S/C13H8FNOS/c14-10-5-8(2-4-12(10)16)9-1-3-11-13(6-9)17-7-15-11/h1-7,16H
InChIKeyMRFPGESQZHFOEO-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-yl)-2-fluorophenol?
The IUPAC name of 4-(1,3-benzothiazol-6-yl)-2-fluorophenol (CID 59282946) is 4-(1,3-benzothiazol-6-yl)-2-fluorophenol.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yl)-2-fluorophenol?
The canonical SMILES for 4-(1,3-benzothiazol-6-yl)-2-fluorophenol is Oc1ccc(-c2ccc3ncsc3c2)cc1F.
What is the InChIKey of 4-(1,3-benzothiazol-6-yl)-2-fluorophenol?
The InChIKey is MRFPGESQZHFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-10-5-8(2-4-12(10)16)9-1-3-11-13(6-9)17-7-15-11/h1-7,16H.
What are the key properties of 4-(1,3-benzothiazol-6-yl)-2-fluorophenol?
4-(1,3-benzothiazol-6-yl)-2-fluorophenol has a molecular weight of 245.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yl)-2-fluorophenol is sourced from PubChem (CID 59282946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).