1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone

C14H15N3OS — CID 39044468

IUPAC1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)N1CCC1
InChIInChI=1S/C14H15N3OS/c18-13(17-7-4-8-17)10-19-14-15-9-12(16-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16)
InChIKeyRMNSZWQLCXLFNE-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.40
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone

1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone (PubChem CID 39044468) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
PubChem CID39044468
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)N1CCC1
InChIInChI=1S/C14H15N3OS/c18-13(17-7-4-8-17)10-19-14-15-9-12(16-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16)
InChIKeyRMNSZWQLCXLFNE-UHFFFAOYSA-N
XLogP2.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 2813255
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
N-[2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]prop-2-enamide
CID 137639513
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
CID 2324952
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3430647
2-[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4779876
N-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-N-heptyl-butyramide
CID 10346069
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one
CID 10968627
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
CID 11756225
N-(4-(4-(4-Fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acetamide
CID 53237693

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone (CID 39044468) is 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone is O=C(CSc1ncc(-c2ccccc2)[nH]1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone?
The InChIKey is RMNSZWQLCXLFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(17-7-4-8-17)10-19-14-15-9-12(16-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16).
What are the key properties of 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone?
1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 39044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).