2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C13H15N3OS — CID 7150916

IUPAC2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(N)=O)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-10(2)11(7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyVVGVOQLFARETFN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150916) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150916
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(N)=O)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-10(2)11(7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyVVGVOQLFARETFN-UHFFFAOYSA-N
XLogP2.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150916) is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(C)c(-n2ccnc2SCC(N)=O)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is VVGVOQLFARETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-4-10(2)11(7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).