3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide

C12H12FN3OS — CID 55212765

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ncc[nH]1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-5-11(17)16-12-14-6-7-15-12/h1-4,6-7H,5,8H2,(H2,14,15,16,17)
InChIKeyGPHKONXVDLDDPK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide (PubChem CID 55212765) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
PubChem CID55212765
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ncc[nH]1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-5-11(17)16-12-14-6-7-15-12/h1-4,6-7H,5,8H2,(H2,14,15,16,17)
InChIKeyGPHKONXVDLDDPK-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-fluorophenyl)sulfanylpropanehydrazide
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4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
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2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide
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N-(1H-imidazol-2-yl)-3-pyridin-2-ylpropanamide
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3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
(2S)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid
CID 61152189
3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
CID 60617315

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide (CID 55212765) is 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide is O=C(CCSc1ccccc1F)Nc1ncc[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is GPHKONXVDLDDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-9-3-1-2-4-10(9)18-8-5-11(17)16-12-14-6-7-15-12/h1-4,6-7H,5,8H2,(H2,14,15,16,17).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 55212765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).