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

C12H15N3OS2 — CID 2099595

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSC1=NCCN1
InChIInChI=1S/C12H15N3OS2/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyCKYDGLHCSYAGKH-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.04
Rot. Bonds4

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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2099595) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2099595
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSC1=NCCN1
InChIInChI=1S/C12H15N3OS2/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyCKYDGLHCSYAGKH-UHFFFAOYSA-N
XLogP2.04
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide (CID 2099595) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is CKYDGLHCSYAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 281.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).