3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one

C15H9FN2O2S — CID 19245212

IUPAC3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc3ccc(F)cc3s2)c2ccccc21
InChIInChI=1S/C15H9FN2O2S/c16-8-5-6-11-12(7-8)21-15(17-11)18-13-9-3-1-2-4-10(9)14(19)20-13/h1-7,13H,(H,17,18)
InChIKeySLZHZAZTFRWLOI-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.72
Rot. Bonds2

About 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one

3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one (PubChem CID 19245212) has the molecular formula C15H9FN2O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one
PubChem CID19245212
Molecular FormulaC15H9FN2O2S
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Name3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc3ccc(F)cc3s2)c2ccccc21
InChIInChI=1S/C15H9FN2O2S/c16-8-5-6-11-12(7-8)21-15(17-11)18-13-9-3-1-2-4-10(9)14(19)20-13/h1-7,13H,(H,17,18)
InChIKeySLZHZAZTFRWLOI-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-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

1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
(3S)-3-(3,4-dichloroanilino)-3H-2-benzofuran-1-one
CID 6929260
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 8750662
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
CID 79127853
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)but-2-enamide
CID 108761712
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2,3-dimethylcyclohept-2-ene-1,4-dione
CID 143772250
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
(3S)-3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 710090
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79126653
3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3H-2-benzofuran-1-one
CID 664929

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one (CID 19245212) is 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one is O=C1OC(Nc2nc3ccc(F)cc3s2)c2ccccc21.
What is the InChIKey of 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The InChIKey is SLZHZAZTFRWLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S/c16-8-5-6-11-12(7-8)21-15(17-11)18-13-9-3-1-2-4-10(9)14(19)20-13/h1-7,13H,(H,17,18).
What are the key properties of 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one?
3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one has a molecular weight of 300.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 19245212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).