2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol

C14H12FNOS — CID 143479629

IUPAC2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol
SMILESOc1ccc2c(c1)SC(c1ccc(CF)cc1)N2
InChIInChI=1S/C14H12FNOS/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(17)7-13(12)18-14/h1-7,14,16-17H,8H2
InChIKeyXXVWJXUTVVZALL-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds2

About 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol

2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol (PubChem CID 143479629) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol
PubChem CID143479629
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol
SMILESOc1ccc2c(c1)SC(c1ccc(CF)cc1)N2
InChIInChI=1S/C14H12FNOS/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(17)7-13(12)18-14/h1-7,14,16-17H,8H2
InChIKeyXXVWJXUTVVZALL-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol (CID 143479629) is 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol is Oc1ccc2c(c1)SC(c1ccc(CF)cc1)N2.
What is the InChIKey of 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol?
The InChIKey is XXVWJXUTVVZALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(17)7-13(12)18-14/h1-7,14,16-17H,8H2.
What are the key properties of 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol?
2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol has a molecular weight of 261.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 143479629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).