N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine

C15H17N3OS — CID 62565146

IUPACN-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
SMILESCC(CNCc1ccco1)n1ccnc1-c1cccs1
InChIInChI=1S/C15H17N3OS/c1-12(10-16-11-13-4-2-8-19-13)18-7-6-17-15(18)14-5-3-9-20-14/h2-9,12,16H,10-11H2,1H3
InChIKeySXOSVFSMUJDMCQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.56
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine

N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine (PubChem CID 62565146) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
PubChem CID62565146
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
SMILESCC(CNCc1ccco1)n1ccnc1-c1cccs1
InChIInChI=1S/C15H17N3OS/c1-12(10-16-11-13-4-2-8-19-13)18-7-6-17-15(18)14-5-3-9-20-14/h2-9,12,16H,10-11H2,1H3
InChIKeySXOSVFSMUJDMCQ-UHFFFAOYSA-N
XLogP3.56
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine (CID 62565146) is N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine is CC(CNCc1ccco1)n1ccnc1-c1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine?
The InChIKey is SXOSVFSMUJDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-12(10-16-11-13-4-2-8-19-13)18-7-6-17-15(18)14-5-3-9-20-14/h2-9,12,16H,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine?
N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine has a molecular weight of 287.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 62565146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).