N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide

C13H14FN3OS — CID 110694023

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FN3OS/c14-11-3-1-10(2-4-11)5-6-15-12(18)9-17-13-16-7-8-19-13/h1-4,7-8H,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyHHJQJIQLZRCIEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694023) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694023
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FN3OS/c14-11-3-1-10(2-4-11)5-6-15-12(18)9-17-13-16-7-8-19-13/h1-4,7-8H,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyHHJQJIQLZRCIEN-UHFFFAOYSA-N
XLogP2.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694067
N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694057
N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
N-[2-(4-fluorophenyl)ethyl]-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55843282
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694023) is N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide is O=C(CNc1nccs1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is HHJQJIQLZRCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-11-3-1-10(2-4-11)5-6-15-12(18)9-17-13-16-7-8-19-13/h1-4,7-8H,5-6,9H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).