(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide

C12H12FN3OS — CID 40518644

IUPAC(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1-c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H12FN3OS/c1-8(11(14)17)18-12-15-5-6-16(12)10-4-2-3-9(13)7-10/h2-8H,1H3,(H2,14,17)/t8-/m1/s1
InChIKeyVQXWGTKKNKLZNF-MRVPVSSYSA-N
MW265.31 g/mol
LogP1.98
Rot. Bonds4

About (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide

(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 40518644) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID40518644
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1-c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H12FN3OS/c1-8(11(14)17)18-12-15-5-6-16(12)10-4-2-3-9(13)7-10/h2-8H,1H3,(H2,14,17)/t8-/m1/s1
InChIKeyVQXWGTKKNKLZNF-MRVPVSSYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide 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-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423602
(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40792536
2-[[(2S)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41260344
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide (CID 40518644) is (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide is C[C@@H](Sc1nccn1-c1cccc(F)c1)C(N)=O.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is VQXWGTKKNKLZNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8(11(14)17)18-12-15-5-6-16(12)10-4-2-3-9(13)7-10/h2-8H,1H3,(H2,14,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40518644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).