N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide

C13H17N3OS — CID 17446956

IUPACN-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCn1ccnc1
InChIInChI=1S/C13H17N3OS/c17-13(3-2-12-4-9-18-10-12)15-5-1-7-16-8-6-14-11-16/h4,6,8-11H,1-3,5,7H2,(H,15,17)
InChIKeyALKPVDGIJASVIJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.08
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide

N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide (PubChem CID 17446956) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide
PubChem CID17446956
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCn1ccnc1
InChIInChI=1S/C13H17N3OS/c17-13(3-2-12-4-9-18-10-12)15-5-1-7-16-8-6-14-11-16/h4,6,8-11H,1-3,5,7H2,(H,15,17)
InChIKeyALKPVDGIJASVIJ-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide (CID 17446956) is N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide?
The InChIKey is ALKPVDGIJASVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13(3-2-12-4-9-18-10-12)15-5-1-7-16-8-6-14-11-16/h4,6,8-11H,1-3,5,7H2,(H,15,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide?
N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 17446956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).