(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone

C13H8FNO2S — CID 64993111

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)c2nccs2)oc2cc(F)ccc12
InChIInChI=1S/C13H8FNO2S/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(16)13-15-4-5-18-13/h2-6H,1H3
InChIKeyORFUAMYBJWWLRK-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.57
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone

(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone (PubChem CID 64993111) has the molecular formula C13H8FNO2S and a molecular weight of 261.28 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone
PubChem CID64993111
Molecular FormulaC13H8FNO2S
Molecular Weight261.28 g/mol
Exact Mass261.03
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)c2nccs2)oc2cc(F)ccc12
InChIInChI=1S/C13H8FNO2S/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(16)13-15-4-5-18-13/h2-6H,1H3
InChIKeyORFUAMYBJWWLRK-UHFFFAOYSA-N
XLogP3.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone (CID 64993111) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone is Cc1c(C(=O)c2nccs2)oc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is ORFUAMYBJWWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2S/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(16)13-15-4-5-18-13/h2-6H,1H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 261.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 64993111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).