3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

C17H11FN2O2S — CID 3693619

IUPAC3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21
InChIInChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)16(21)22-15/h1-9,15H,(H,19,20)
InChIKeyUTSJCZWPPQSFOW-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.23
Rot. Bonds3

About 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (PubChem CID 3693619) has the molecular formula C17H11FN2O2S and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
PubChem CID3693619
Molecular FormulaC17H11FN2O2S
Molecular Weight326.35 g/mol
Exact Mass326.05
IUPAC Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21
InChIInChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)16(21)22-15/h1-9,15H,(H,19,20)
InChIKeyUTSJCZWPPQSFOW-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (CID 3693619) is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one is O=C1OC(Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The InChIKey is UTSJCZWPPQSFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)16(21)22-15/h1-9,15H,(H,19,20).
What are the key properties of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one has a molecular weight of 326.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3693619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).