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

C5H9N3OS — CID 45057145

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSC1=NCCN1
InChIInChI=1S/C5H9N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-3H2,(H2,6,9)(H,7,8)
InChIKeyBHUKWTDZQIACNI-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.84
Rot. Bonds2

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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 45057145) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID45057145
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSC1=NCCN1
InChIInChI=1S/C5H9N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-3H2,(H2,6,9)(H,7,8)
InChIKeyBHUKWTDZQIACNI-UHFFFAOYSA-N
XLogP-0.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.84
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?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (CID 45057145) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is NC(=O)CSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is BHUKWTDZQIACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-3H2,(H2,6,9)(H,7,8).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 159.21 g/mol, XLogP of -0.84, 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 is sourced from PubChem (CID 45057145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).