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

C7H4FNOS — CID 135741999

IUPAC7-fluoro-1,2-benzothiazol-4-ol
SMILESOc1ccc(F)c2sncc12
InChIInChI=1S/C7H4FNOS/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H
InChIKeySXIKMRJYWGIBNZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.14
Rot. Bonds

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

7-fluoro-1,2-benzothiazol-4-ol (PubChem CID 135741999) has the molecular formula C7H4FNOS and a molecular weight of 169.18 g/mol. Its IUPAC name is 7-fluoro-1,2-benzothiazol-4-ol.

Molecular Properties

Compound Name7-fluoro-1,2-benzothiazol-4-ol
PubChem CID135741999
Molecular FormulaC7H4FNOS
Molecular Weight169.18 g/mol
Exact Mass169.00
IUPAC Name7-fluoro-1,2-benzothiazol-4-ol
SMILESOc1ccc(F)c2sncc12
InChIInChI=1S/C7H4FNOS/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H
InChIKeySXIKMRJYWGIBNZ-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

1,2-Benzothiazol-5-ol
CID 12609214
1,2-Benzisothiazol-6-ol
CID 135742002
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-Fluoro-1,2-benzothiazol-7-ol
CID 57485138
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
1,2-Benzothiazol-4-yl trifluoromethanesulfonate
CID 166080603
6-(Trifluoromethoxy)benzo[d]isothiazole
CID 121231919
3-(1,1-Difluoroethyl)-1,2-benzothiazol-4-ol
CID 136314427
3-(Fluoromethyl)-1,2-benzothiazol-4-ol
CID 136316432
3-(1-Fluoroethyl)-1,2-benzothiazol-4-ol
CID 136316819
3-(Difluoromethyl)-1,2-benzothiazol-4-ol
CID 136316833
3-(2-Fluoropropan-2-yl)-1,2-benzothiazol-4-ol
CID 136326864

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2-benzothiazol-4-ol?
The IUPAC name of 7-fluoro-1,2-benzothiazol-4-ol (CID 135741999) is 7-fluoro-1,2-benzothiazol-4-ol.
What is the SMILES notation for 7-fluoro-1,2-benzothiazol-4-ol?
The canonical SMILES for 7-fluoro-1,2-benzothiazol-4-ol is Oc1ccc(F)c2sncc12.
What is the InChIKey of 7-fluoro-1,2-benzothiazol-4-ol?
The InChIKey is SXIKMRJYWGIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNOS/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H.
What are the key properties of 7-fluoro-1,2-benzothiazol-4-ol?
7-fluoro-1,2-benzothiazol-4-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 7-fluoro-1,2-benzothiazol-4-ol is sourced from PubChem (CID 135741999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).