2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

C8H13N3OS — CID 64863157

IUPAC2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)c1c[nH]c(=S)n1CC(N)=O
InChIInChI=1S/C8H13N3OS/c1-5(2)6-3-10-8(13)11(6)4-7(9)12/h3,5H,4H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyVYKAHMRWKLMIFY-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 64863157) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
PubChem CID64863157
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)c1c[nH]c(=S)n1CC(N)=O
InChIInChI=1S/C8H13N3OS/c1-5(2)6-3-10-8(13)11(6)4-7(9)12/h3,5H,4H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyVYKAHMRWKLMIFY-UHFFFAOYSA-N
XLogP1.15
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The IUPAC name of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 64863157) is 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The canonical SMILES for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CC(C)c1c[nH]c(=S)n1CC(N)=O.
What is the InChIKey of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The InChIKey is VYKAHMRWKLMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)6-3-10-8(13)11(6)4-7(9)12/h3,5H,4H2,1-2H3,(H2,9,12)(H,10,13).
What are the key properties of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 199.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 64863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).