[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine

C12H17N3S — CID 103386689

IUPAC[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
SMILESCCc1nc(-c2cc(CN)cs2)[nH]c1CC
InChIInChI=1S/C12H17N3S/c1-3-9-10(4-2)15-12(14-9)11-5-8(6-13)7-16-11/h5,7H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyCPCVSJXAZBOUFK-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.72
Rot. Bonds4

About [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine

[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine (PubChem CID 103386689) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
PubChem CID103386689
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
SMILESCCc1nc(-c2cc(CN)cs2)[nH]c1CC
InChIInChI=1S/C12H17N3S/c1-3-9-10(4-2)15-12(14-9)11-5-8(6-13)7-16-11/h5,7H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyCPCVSJXAZBOUFK-UHFFFAOYSA-N
XLogP2.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The IUPAC name of [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine (CID 103386689) is [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The canonical SMILES for [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine is CCc1nc(-c2cc(CN)cs2)[nH]c1CC.
What is the InChIKey of [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The InChIKey is CPCVSJXAZBOUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-9-10(4-2)15-12(14-9)11-5-8(6-13)7-16-11/h5,7H,3-4,6,13H2,1-2H3,(H,14,15).
What are the key properties of [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 103386689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).