2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C11H16N4O2S — CID 46688714

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nccn1C1CC1
InChIInChI=1S/C11H16N4O2S/c1-7(9(16)14-10(17)12-2)18-11-13-5-6-15(11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,12,14,16,17)
InChIKeyMEKDSWFPMMEOLC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.15
Rot. Bonds4

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 46688714) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID46688714
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nccn1C1CC1
InChIInChI=1S/C11H16N4O2S/c1-7(9(16)14-10(17)12-2)18-11-13-5-6-15(11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,12,14,16,17)
InChIKeyMEKDSWFPMMEOLC-UHFFFAOYSA-N
XLogP1.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
CID 9464638
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 25416730
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 36834661
(2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 27429580
(2R)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7649168
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55508617
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 46688714) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1nccn1C1CC1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is MEKDSWFPMMEOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(9(16)14-10(17)12-2)18-11-13-5-6-15(11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,12,14,16,17).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 46688714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).