1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine

C14H19N3S — CID 106565426

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C14H19N3S/c1-5-6-15-14-16-7-8-17(14)11(3)13-9-10(2)18-12(13)4/h5,7-9,11H,1,6H2,2-4H3,(H,15,16)
InChIKeyFZLIMFNSYNXWRR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.77
Rot. Bonds5

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine (PubChem CID 106565426) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
PubChem CID106565426
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C14H19N3S/c1-5-6-15-14-16-7-8-17(14)11(3)13-9-10(2)18-12(13)4/h5,7-9,11H,1,6H2,2-4H3,(H,15,16)
InChIKeyFZLIMFNSYNXWRR-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine (CID 106565426) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C(C)c1cc(C)sc1C.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The InChIKey is FZLIMFNSYNXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-6-15-14-16-7-8-17(14)11(3)13-9-10(2)18-12(13)4/h5,7-9,11H,1,6H2,2-4H3,(H,15,16).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106565426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).