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

C10H17N3OS — CID 64863550

IUPACN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCCNC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C10H17N3OS/c1-4-11-9(14)6-13-8(7(2)3)5-12-10(13)15/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyJEAQWNFGQJSDQB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.81
Rot. Bonds4

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

N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 64863550) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
PubChem CID64863550
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCCNC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C10H17N3OS/c1-4-11-9(14)6-13-8(7(2)3)5-12-10(13)15/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyJEAQWNFGQJSDQB-UHFFFAOYSA-N
XLogP1.81
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.81
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 N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 64863550) is N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CCNC(=O)Cn1c(C(C)C)c[nH]c1=S.
What is the InChIKey of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The InChIKey is JEAQWNFGQJSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-11-9(14)6-13-8(7(2)3)5-12-10(13)15/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 227.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 64863550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).