(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone

C12H6FNO2S — CID 114725836

IUPAC(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H6FNO2S/c13-8-3-1-2-7-4-10(16-12(7)8)11(15)9-5-17-6-14-9/h1-6H
InChIKeyPWBZIEPRKFKXAV-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.26
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 114725836) has the molecular formula C12H6FNO2S and a molecular weight of 247.25 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID114725836
Molecular FormulaC12H6FNO2S
Molecular Weight247.25 g/mol
Exact Mass247.01
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H6FNO2S/c13-8-3-1-2-7-4-10(16-12(7)8)11(15)9-5-17-6-14-9/h1-6H
InChIKeyPWBZIEPRKFKXAV-UHFFFAOYSA-N
XLogP3.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone 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 (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (CID 114725836) is (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is PWBZIEPRKFKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO2S/c13-8-3-1-2-7-4-10(16-12(7)8)11(15)9-5-17-6-14-9/h1-6H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 247.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114725836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).