2-fluoro-1,3-benzothiazol-6-ol

C7H4FNOS — CID 91882966

IUPAC2-fluoro-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(F)sc2c1
InChIInChI=1S/C7H4FNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H
InChIKeyYVTCLYGOXAVXBM-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.14
Rot. Bonds

About 2-fluoro-1,3-benzothiazol-6-ol

2-fluoro-1,3-benzothiazol-6-ol (PubChem CID 91882966) has the molecular formula C7H4FNOS and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-fluoro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-fluoro-1,3-benzothiazol-6-ol
PubChem CID91882966
Molecular FormulaC7H4FNOS
Molecular Weight169.18 g/mol
Exact Mass169.00
IUPAC Name2-fluoro-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(F)sc2c1
InChIInChI=1S/C7H4FNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H
InChIKeyYVTCLYGOXAVXBM-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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Related Compounds

2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
CID 146453884
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
2,4-difluoro-1,3-benzothiazol-6-ol
CID 174737226
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 75154398

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-fluoro-1,3-benzothiazol-6-ol (CID 91882966) is 2-fluoro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-fluoro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-fluoro-1,3-benzothiazol-6-ol is Oc1ccc2nc(F)sc2c1.
What is the InChIKey of 2-fluoro-1,3-benzothiazol-6-ol?
The InChIKey is YVTCLYGOXAVXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H.
What are the key properties of 2-fluoro-1,3-benzothiazol-6-ol?
2-fluoro-1,3-benzothiazol-6-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 2-fluoro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 91882966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).