5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one

C14H10FNO2S — CID 25181243

IUPAC5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccc(-n2sc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-8-9(15)2-7-13(12)19-16/h2-8H,1H3
InChIKeyWBFBUSAZALVWJQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.20
Rot. Bonds2

About 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one

5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one (PubChem CID 25181243) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
PubChem CID25181243
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccc(-n2sc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-8-9(15)2-7-13(12)19-16/h2-8H,1H3
InChIKeyWBFBUSAZALVWJQ-UHFFFAOYSA-N
XLogP3.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
2-(4-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 11054313
6-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 1519965
3-fluoro-N-(4-methoxyphenyl)benzamide
CID 532009
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
1,2-Benzisothiazole-2-acetamide, 6-fluoro-2,3-dihydro-N-(4-methoxyphenyl)-3-oxo-
CID 5304230
N-[(3-ketobenzothiophen-2-ylidene)amino]-N-(4-methoxyphenyl)acetamide
CID 6900692
N-(4-methoxyphenyl)-2-(methylthio)benzamide
CID 961858

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one (CID 25181243) is 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one is COc1ccc(-n2sc3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The InChIKey is WBFBUSAZALVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-8-9(15)2-7-13(12)19-16/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one has a molecular weight of 275.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 25181243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).