3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

C18H15FN2OS — CID 110444029

IUPAC3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18(22)20-10-9-17-21-16(12-23-17)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyZCPQWKWBHCAXHX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

About 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110444029) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110444029
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18(22)20-10-9-17-21-16(12-23-17)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyZCPQWKWBHCAXHX-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110444029) is 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ZCPQWKWBHCAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18(22)20-10-9-17-21-16(12-23-17)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22).
What are the key properties of 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110444029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).