2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

C5H10ClN3OS — CID 91990518

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.NC(=O)CSC1=NCCN1
InChIInChI=1S/C5H9N3OS.ClH/c6-4(9)3-10-5-7-1-2-8-5;/h1-3H2,(H2,6,9)(H,7,8);1H
InChIKeyZCSXSNLBYAGQQC-UHFFFAOYSA-N
MW195.67 g/mol
LogP-0.41
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (PubChem CID 91990518) has the molecular formula C5H10ClN3OS and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
PubChem CID91990518
Molecular FormulaC5H10ClN3OS
Molecular Weight195.67 g/mol
Exact Mass195.02
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.NC(=O)CSC1=NCCN1
InChIInChI=1S/C5H9N3OS.ClH/c6-4(9)3-10-5-7-1-2-8-5;/h1-3H2,(H2,6,9)(H,7,8);1H
InChIKeyZCSXSNLBYAGQQC-UHFFFAOYSA-N
XLogP-0.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (CID 91990518) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is Cl.NC(=O)CSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The InChIKey is ZCSXSNLBYAGQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS.ClH/c6-4(9)3-10-5-7-1-2-8-5;/h1-3H2,(H2,6,9)(H,7,8);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride has a molecular weight of 195.67 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 91990518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).