(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine

C12H17N3S — CID 104943181

IUPAC(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(Cc1cccs1)n1cncc1[C@H](C)N
InChIInChI=1S/C12H17N3S/c1-9(6-11-4-3-5-16-11)15-8-14-7-12(15)10(2)13/h3-5,7-10H,6,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyGVNYVOVFWLJKHX-AXDSSHIGSA-N
MW235.36 g/mol
LogP2.77
Rot. Bonds4

About (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine

(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 104943181) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
PubChem CID104943181
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(Cc1cccs1)n1cncc1[C@H](C)N
InChIInChI=1S/C12H17N3S/c1-9(6-11-4-3-5-16-11)15-8-14-7-12(15)10(2)13/h3-5,7-10H,6,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyGVNYVOVFWLJKHX-AXDSSHIGSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 107444220
oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
CID 114720628
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
CID 66139860
4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione
CID 63788886
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine (CID 104943181) is (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine is CC(Cc1cccs1)n1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is GVNYVOVFWLJKHX-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(6-11-4-3-5-16-11)15-8-14-7-12(15)10(2)13/h3-5,7-10H,6,13H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).