1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine

C11H15N3S — CID 43649887

IUPAC1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(-c2ccc(C)s2)[nH]1
InChIInChI=1S/C11H15N3S/c1-3-8(12)11-13-6-9(14-11)10-5-4-7(2)15-10/h4-6,8H,3,12H2,1-2H3,(H,13,14)
InChIKeyVWCVYIIXQVDKDT-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.86
Rot. Bonds3

About 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine

1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43649887) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43649887
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(-c2ccc(C)s2)[nH]1
InChIInChI=1S/C11H15N3S/c1-3-8(12)11-13-6-9(14-11)10-5-4-7(2)15-10/h4-6,8H,3,12H2,1-2H3,(H,13,14)
InChIKeyVWCVYIIXQVDKDT-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine (CID 43649887) is 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine is CCC(N)c1ncc(-c2ccc(C)s2)[nH]1.
What is the InChIKey of 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is VWCVYIIXQVDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-8(12)11-13-6-9(14-11)10-5-4-7(2)15-10/h4-6,8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43649887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).