2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C11H10FN3OS — CID 82131580

IUPAC2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c12-8-1-3-9(4-2-8)15-6-5-14-11(15)17-7-10(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyXTTSBZBDISSAHG-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 82131580) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID82131580
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c12-8-1-3-9(4-2-8)15-6-5-14-11(15)17-7-10(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyXTTSBZBDISSAHG-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetamide
CID 94700017
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
2-[1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404177
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole
CID 141278011
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53082289
2-[1-(3-chloro-5-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107367987
2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 82131580) is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is XTTSBZBDISSAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-1-3-9(4-2-8)15-6-5-14-11(15)17-7-10(13)16/h1-6H,7H2,(H2,13,16).
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 251.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 82131580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).