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

C12H6FNO2S — CID 114725837

IUPAC(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H6FNO2S/c13-8-1-2-10-7(3-8)4-11(16-10)12(15)9-5-17-6-14-9/h1-6H
InChIKeyTZZBFJPFOHRBTE-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.26
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone

(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 114725837) has the molecular formula C12H6FNO2S and a molecular weight of 247.25 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID114725837
Molecular FormulaC12H6FNO2S
Molecular Weight247.25 g/mol
Exact Mass247.01
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H6FNO2S/c13-8-1-2-10-7(3-8)4-11(16-10)12(15)9-5-17-6-14-9/h1-6H
InChIKeyTZZBFJPFOHRBTE-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

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725833
(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone
CID 107977441
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115808833

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (CID 114725837) is (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is TZZBFJPFOHRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO2S/c13-8-1-2-10-7(3-8)4-11(16-10)12(15)9-5-17-6-14-9/h1-6H.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
(5-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 (5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114725837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).