3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C15H17N3OS — CID 18149523

IUPAC3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C15H17N3OS/c16-14(19)8-9-20-15-17-10-13(18(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19)
InChIKeyYXYUEXWADYYPBK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.85
Rot. Bonds6

About 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide

3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 18149523) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID18149523
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C15H17N3OS/c16-14(19)8-9-20-15-17-10-13(18(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19)
InChIKeyYXYUEXWADYYPBK-UHFFFAOYSA-N
XLogP2.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 18149523) is 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide is NC(=O)CCSc1ncc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is YXYUEXWADYYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(19)8-9-20-15-17-10-13(18(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19).
What are the key properties of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 287.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 18149523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).