azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone

C14H14FN3OS — CID 39951347

IUPACazetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
SMILESCSc1ncc(C(=O)N2CCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c1-20-14-16-9-12(13(19)17-7-2-8-17)18(14)11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3
InChIKeyFDSNHLWNSWXUAK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.58
Rot. Bonds3

About azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone

azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone (PubChem CID 39951347) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
PubChem CID39951347
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Nameazetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
SMILESCSc1ncc(C(=O)N2CCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c1-20-14-16-9-12(13(19)17-7-2-8-17)18(14)11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3
InChIKeyFDSNHLWNSWXUAK-UHFFFAOYSA-N
XLogP2.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone (CID 39951347) is azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone is CSc1ncc(C(=O)N2CCC2)n1-c1ccc(F)cc1.
What is the InChIKey of azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone?
The InChIKey is FDSNHLWNSWXUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-20-14-16-9-12(13(19)17-7-2-8-17)18(14)11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3.
What are the key properties of azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone?
azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone is sourced from PubChem (CID 39951347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).