3-(1-fluoroethyl)-1,2-benzothiazol-5-ol

C9H8FNOS — CID 84667589

IUPAC3-(1-fluoroethyl)-1,2-benzothiazol-5-ol
SMILESCC(F)c1nsc2ccc(O)cc12
InChIInChI=1S/C9H8FNOS/c1-5(10)9-7-4-6(12)2-3-8(7)13-11-9/h2-5,12H,1H3
InChIKeyRNWSNHHTQIDKTE-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.03
Rot. Bonds1

About 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol

3-(1-fluoroethyl)-1,2-benzothiazol-5-ol (PubChem CID 84667589) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1,2-benzothiazol-5-ol
PubChem CID84667589
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name3-(1-fluoroethyl)-1,2-benzothiazol-5-ol
SMILESCC(F)c1nsc2ccc(O)cc12
InChIInChI=1S/C9H8FNOS/c1-5(10)9-7-4-6(12)2-3-8(7)13-11-9/h2-5,12H,1H3
InChIKeyRNWSNHHTQIDKTE-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol?
The IUPAC name of 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol (CID 84667589) is 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol.
What is the SMILES notation for 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol?
The canonical SMILES for 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol is CC(F)c1nsc2ccc(O)cc12.
What is the InChIKey of 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol?
The InChIKey is RNWSNHHTQIDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-5(10)9-7-4-6(12)2-3-8(7)13-11-9/h2-5,12H,1H3.
What are the key properties of 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol?
3-(1-fluoroethyl)-1,2-benzothiazol-5-ol has a molecular weight of 197.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1,2-benzothiazol-5-ol is sourced from PubChem (CID 84667589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).