1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone

C10H15N3O2S — CID 66150442

IUPAC1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
SMILESCn1c(CO)cnc1SCC(=O)N1CCC1
InChIInChI=1S/C10H15N3O2S/c1-12-8(6-14)5-11-10(12)16-7-9(15)13-3-2-4-13/h5,14H,2-4,6-7H2,1H3
InChIKeyJGOJXPXWZLGATK-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.24
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone

1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone (PubChem CID 66150442) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
PubChem CID66150442
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
SMILESCn1c(CO)cnc1SCC(=O)N1CCC1
InChIInChI=1S/C10H15N3O2S/c1-12-8(6-14)5-11-10(12)16-7-9(15)13-3-2-4-13/h5,14H,2-4,6-7H2,1H3
InChIKeyJGOJXPXWZLGATK-UHFFFAOYSA-N
XLogP0.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 66149815
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 66150041
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825232
2-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
CID 66149817
[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66150655
2-[5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7219440
N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111536922
2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 7332121
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
CID 82891573
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methylacetamide
CID 111536939

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone (CID 66150442) is 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone is Cn1c(CO)cnc1SCC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone?
The InChIKey is JGOJXPXWZLGATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12-8(6-14)5-11-10(12)16-7-9(15)13-3-2-4-13/h5,14H,2-4,6-7H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone?
1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone has a molecular weight of 241.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 66150442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).