N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide

C9H15N3OS — CID 71870821

IUPACN,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncc[nH]1
InChIInChI=1S/C9H15N3OS/c1-3-12(4-2)8(13)7-14-9-10-5-6-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyQASOTPKPUHRQOG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.37
Rot. Bonds5

About N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide

N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 71870821) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID71870821
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncc[nH]1
InChIInChI=1S/C9H15N3OS/c1-3-12(4-2)8(13)7-14-9-10-5-6-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyQASOTPKPUHRQOG-UHFFFAOYSA-N
XLogP1.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide (CID 71870821) is N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide is CCN(CC)C(=O)CSc1ncc[nH]1.
What is the InChIKey of N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is QASOTPKPUHRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-12(4-2)8(13)7-14-9-10-5-6-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide?
N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 71870821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).