4-fluoro-1,2-benzothiazol-7-ol

C7H4FNOS — CID 57485138

IUPAC4-fluoro-1,2-benzothiazol-7-ol
SMILESOc1ccc(F)c2cnsc12
InChIInChI=1S/C7H4FNOS/c8-5-1-2-6(10)7-4(5)3-9-11-7/h1-3,10H
InChIKeyNYBHRFPGGPYSKF-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.14
Rot. Bonds

About 4-fluoro-1,2-benzothiazol-7-ol

4-fluoro-1,2-benzothiazol-7-ol (PubChem CID 57485138) has the molecular formula C7H4FNOS and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-fluoro-1,2-benzothiazol-7-ol.

Molecular Properties

Compound Name4-fluoro-1,2-benzothiazol-7-ol
PubChem CID57485138
Molecular FormulaC7H4FNOS
Molecular Weight169.18 g/mol
Exact Mass169.00
IUPAC Name4-fluoro-1,2-benzothiazol-7-ol
SMILESOc1ccc(F)c2cnsc12
InChIInChI=1S/C7H4FNOS/c8-5-1-2-6(10)7-4(5)3-9-11-7/h1-3,10H
InChIKeyNYBHRFPGGPYSKF-UHFFFAOYSA-N
XLogP2.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-benzothiazol-7-ol?
The IUPAC name of 4-fluoro-1,2-benzothiazol-7-ol (CID 57485138) is 4-fluoro-1,2-benzothiazol-7-ol.
What is the SMILES notation for 4-fluoro-1,2-benzothiazol-7-ol?
The canonical SMILES for 4-fluoro-1,2-benzothiazol-7-ol is Oc1ccc(F)c2cnsc12.
What is the InChIKey of 4-fluoro-1,2-benzothiazol-7-ol?
The InChIKey is NYBHRFPGGPYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNOS/c8-5-1-2-6(10)7-4(5)3-9-11-7/h1-3,10H.
What are the key properties of 4-fluoro-1,2-benzothiazol-7-ol?
4-fluoro-1,2-benzothiazol-7-ol has a molecular weight of 169.18 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-benzothiazol-7-ol is sourced from PubChem (CID 57485138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).