furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C9H10N2O2S — CID 4590313

IUPACfuran-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccco1
InChIInChI=1S/C9H10N2O2S/c1-14-9-10-4-5-11(9)8(12)7-3-2-6-13-7/h2-3,6H,4-5H2,1H3
InChIKeyOEDMEEDXLLDFCX-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.45
Rot. Bonds1

About furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 4590313) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID4590313
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Namefuran-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccco1
InChIInChI=1S/C9H10N2O2S/c1-14-9-10-4-5-11(9)8(12)7-3-2-6-13-7/h2-3,6H,4-5H2,1H3
InChIKeyOEDMEEDXLLDFCX-UHFFFAOYSA-N
XLogP1.45
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 762331
4-Acetyl 1-(2-furoyl)piperazine
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1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
4-(2-Furylcarbonyl)piperazinyl pyrrolidinyl ketone
CID 971283
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
3-(Furan-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 23724183
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-(3-acetyl-2-(2-furyl)-1,3,4-thiadiazolin-5-yl)acetamide
CID 3676154
(4-Cyclopentylpiperazin-1-yl)-(furan-2-yl)methanone
CID 717345

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 4590313) is furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is OEDMEEDXLLDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-14-9-10-4-5-11(9)8(12)7-3-2-6-13-7/h2-3,6H,4-5H2,1H3.
What are the key properties of furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 210.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 4590313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).