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

C18H15FN2OS — CID 7518516

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18-21-16(12-23-18)9-10-20-17(22)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyIAAAUESASVOUKN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7518516) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7518516
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18-21-16(12-23-18)9-10-20-17(22)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyIAAAUESASVOUKN-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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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
4-(2-{[(Propylsulfonyl)amino]methyl}-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzamide
CID 73505035
2-[2-(4-Phenyl-thiazol-2-yl)-ethyl]-isoindole-1,3-dione
CID 604477
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1482048
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7518516) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccccc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is IAAAUESASVOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-8-4-7-14(11-15)18-21-16(12-23-18)9-10-20-17(22)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-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-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7518516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).