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

C18H15FN2OS — CID 127045926

IUPACN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyRBAATWBGHBFUNP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127045926) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127045926
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyRBAATWBGHBFUNP-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

Analyze N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127045926) is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is RBAATWBGHBFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(4-fluorophenyl)-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 N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).