2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol

C14H10FNOS — CID 54553033

IUPAC2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H10FNOS/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(17)8-13(12)18-14/h1-6,8,17H,7H2
InChIKeyZLFRBAVMSQIUFQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.73
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol

2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol (PubChem CID 54553033) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol
PubChem CID54553033
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H10FNOS/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(17)8-13(12)18-14/h1-6,8,17H,7H2
InChIKeyZLFRBAVMSQIUFQ-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol (CID 54553033) is 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol is Oc1ccc2nc(Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol?
The InChIKey is ZLFRBAVMSQIUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(17)8-13(12)18-14/h1-6,8,17H,7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol?
2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol has a molecular weight of 259.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 54553033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).