N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane

C7H12N3OPS — CID 91572909

IUPACN-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
SMILESCCNC(=O)Cc1cnc[nH]1.P=S
InChIInChI=1S/C7H11N3O.HPS/c1-2-9-7(11)3-6-4-8-5-10-6;1-2/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11);1H
InChIKeyVDSRUXLNEXQJHQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.68
Rot. Bonds3

About N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane

N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane (PubChem CID 91572909) has the molecular formula C7H12N3OPS and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane.

Molecular Properties

Compound NameN-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
PubChem CID91572909
Molecular FormulaC7H12N3OPS
Molecular Weight217.23 g/mol
Exact Mass217.04
IUPAC NameN-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
SMILESCCNC(=O)Cc1cnc[nH]1.P=S
InChIInChI=1S/C7H11N3O.HPS/c1-2-9-7(11)3-6-4-8-5-10-6;1-2/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11);1H
InChIKeyVDSRUXLNEXQJHQ-UHFFFAOYSA-N
XLogP0.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684062
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide
CID 66576652
N-(2-tert-butylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684157
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-[8-[[(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 122211207
N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane?
The IUPAC name of N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane (CID 91572909) is N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane.
What is the SMILES notation for N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane?
The canonical SMILES for N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane is CCNC(=O)Cc1cnc[nH]1.P=S.
What is the InChIKey of N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane?
The InChIKey is VDSRUXLNEXQJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.HPS/c1-2-9-7(11)3-6-4-8-5-10-6;1-2/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11);1H.
What are the key properties of N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane?
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane has a molecular weight of 217.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane is sourced from PubChem (CID 91572909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).