N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide

C7H11N3OS — CID 69029233

IUPACN-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H11N3OS/c1-5(11)8-3-2-6-4-9-7(12)10-6/h4H,2-3H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyGCEZQIDFUXNPPO-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.75
Rot. Bonds3

About N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide

N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide (PubChem CID 69029233) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide
PubChem CID69029233
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H11N3OS/c1-5(11)8-3-2-6-4-9-7(12)10-6/h4H,2-3H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyGCEZQIDFUXNPPO-UHFFFAOYSA-N
XLogP0.75
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide (CID 69029233) is N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The InChIKey is GCEZQIDFUXNPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(11)8-3-2-6-4-9-7(12)10-6/h4H,2-3H2,1H3,(H,8,11)(H2,9,10,12).
What are the key properties of N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide has a molecular weight of 185.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 69029233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).