2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide

C7H11N3O2S — CID 47341408

IUPAC2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide
SMILESCSC(C)C(=O)NC1=NCC(=O)N1
InChIInChI=1S/C7H11N3O2S/c1-4(13-2)6(12)10-7-8-3-5(11)9-7/h4H,3H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyAYVRIONKMYWGJV-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.66
Rot. Bonds2

About 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide

2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide (PubChem CID 47341408) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide
PubChem CID47341408
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide
SMILESCSC(C)C(=O)NC1=NCC(=O)N1
InChIInChI=1S/C7H11N3O2S/c1-4(13-2)6(12)10-7-8-3-5(11)9-7/h4H,3H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyAYVRIONKMYWGJV-UHFFFAOYSA-N
XLogP-0.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopentyl-2-methylsulfanylpropanamide
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2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one
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2-methylsulfanyl-N-(2-phenylphenyl)propanamide
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(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
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2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
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N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
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(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
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2-methylsulfanyl-N-propylpropanamide
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(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide (CID 47341408) is 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide is CSC(C)C(=O)NC1=NCC(=O)N1.
What is the InChIKey of 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide?
The InChIKey is AYVRIONKMYWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(13-2)6(12)10-7-8-3-5(11)9-7/h4H,3H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide?
2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide has a molecular weight of 201.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide is sourced from PubChem (CID 47341408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).