2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole

C10H4BrFN2OS — CID 114734262

IUPAC2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
SMILESFc1ccc2oc(-c3nnc(Br)s3)cc2c1
InChIInChI=1S/C10H4BrFN2OS/c11-10-14-13-9(16-10)8-4-5-3-6(12)1-2-7(5)15-8/h1-4H
InChIKeyKNMYYXBTDRUUJS-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.85
Rot. Bonds1

About 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole

2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole (PubChem CID 114734262) has the molecular formula C10H4BrFN2OS and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
PubChem CID114734262
Molecular FormulaC10H4BrFN2OS
Molecular Weight299.12 g/mol
Exact Mass297.92
IUPAC Name2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
SMILESFc1ccc2oc(-c3nnc(Br)s3)cc2c1
InChIInChI=1S/C10H4BrFN2OS/c11-10-14-13-9(16-10)8-4-5-3-6(12)1-2-7(5)15-8/h1-4H
InChIKeyKNMYYXBTDRUUJS-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 1119356
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521
2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole
CID 135394109
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723305
3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
CID 114733240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole (CID 114734262) is 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole is Fc1ccc2oc(-c3nnc(Br)s3)cc2c1.
What is the InChIKey of 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole?
The InChIKey is KNMYYXBTDRUUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrFN2OS/c11-10-14-13-9(16-10)8-4-5-3-6(12)1-2-7(5)15-8/h1-4H.
What are the key properties of 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole?
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole has a molecular weight of 299.12 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 114734262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).