2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

C13H22N4O3S — CID 51329528

IUPAC2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nc(C)c(C)n1CCOC
InChIInChI=1S/C13H22N4O3S/c1-8-9(2)17(6-7-20-5)13(15-8)21-10(3)11(18)16-12(19)14-4/h10H,6-7H2,1-5H3,(H2,14,16,18,19)
InChIKeyVARROUDCKXVJNM-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.08
Rot. Bonds6

About 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 51329528) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID51329528
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nc(C)c(C)n1CCOC
InChIInChI=1S/C13H22N4O3S/c1-8-9(2)17(6-7-20-5)13(15-8)21-10(3)11(18)16-12(19)14-4/h10H,6-7H2,1-5H3,(H2,14,16,18,19)
InChIKeyVARROUDCKXVJNM-UHFFFAOYSA-N
XLogP1.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide (CID 51329528) is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1nc(C)c(C)n1CCOC.
What is the InChIKey of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is VARROUDCKXVJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-8-9(2)17(6-7-20-5)13(15-8)21-10(3)11(18)16-12(19)14-4/h10H,6-7H2,1-5H3,(H2,14,16,18,19).
What are the key properties of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 51329528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).