1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine

C13H17N3S — CID 106567886

IUPAC1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
SMILESC=CCn1ccnc1NC(C)Cc1ccsc1
InChIInChI=1S/C13H17N3S/c1-3-6-16-7-5-14-13(16)15-11(2)9-12-4-8-17-10-12/h3-5,7-8,10-11H,1,6,9H2,2H3,(H,14,15)
InChIKeyAIIPBTZLZLLSGZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.17
Rot. Bonds6

About 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine

1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine (PubChem CID 106567886) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
PubChem CID106567886
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
SMILESC=CCn1ccnc1NC(C)Cc1ccsc1
InChIInChI=1S/C13H17N3S/c1-3-6-16-7-5-14-13(16)15-11(2)9-12-4-8-17-10-12/h3-5,7-8,10-11H,1,6,9H2,2H3,(H,14,15)
InChIKeyAIIPBTZLZLLSGZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571941
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562002
N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
CID 106564882
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
6-(1-methylimidazol-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)pyridazin-3-amine
CID 56756516
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
1-ethyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 62842596
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine (CID 106567886) is 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine is C=CCn1ccnc1NC(C)Cc1ccsc1.
What is the InChIKey of 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is AIIPBTZLZLLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-6-16-7-5-14-13(16)15-11(2)9-12-4-8-17-10-12/h3-5,7-8,10-11H,1,6,9H2,2H3,(H,14,15).
What are the key properties of 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine?
1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106567886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).