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

C12H17N3S — CID 106565395

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine
SMILESCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C12H17N3S/c1-8-7-11(10(3)16-8)9(2)15-6-5-14-12(15)13-4/h5-7,9H,1-4H3,(H,13,14)
InChIKeyJITXQRKJRHWHRM-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.21
Rot. Bonds3

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

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine (PubChem CID 106565395) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine
PubChem CID106565395
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine
SMILESCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C12H17N3S/c1-8-7-11(10(3)16-8)9(2)15-6-5-14-12(15)13-4/h5-7,9H,1-4H3,(H,13,14)
InChIKeyJITXQRKJRHWHRM-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine (CID 106565395) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine is CNc1nccn1C(C)c1cc(C)sc1C.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine?
The InChIKey is JITXQRKJRHWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-7-11(10(3)16-8)9(2)15-6-5-14-12(15)13-4/h5-7,9H,1-4H3,(H,13,14).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.21, 3 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-methylimidazol-2-amine is sourced from PubChem (CID 106565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).