N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine

C17H20N4S — CID 56862847

IUPACN,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nccn2CCc2cccnc2)c1
InChIInChI=1S/C17H20N4S/c1-20(2)12-15-10-16(22-13-15)17-19-7-9-21(17)8-5-14-4-3-6-18-11-14/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3
InChIKeyUQUYWXLBORVXIH-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.31
Rot. Bonds6

About N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine (PubChem CID 56862847) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine
PubChem CID56862847
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nccn2CCc2cccnc2)c1
InChIInChI=1S/C17H20N4S/c1-20(2)12-15-10-16(22-13-15)17-19-7-9-21(17)8-5-14-4-3-6-18-11-14/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3
InChIKeyUQUYWXLBORVXIH-UHFFFAOYSA-N
XLogP3.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine (CID 56862847) is N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine is CN(C)Cc1csc(-c2nccn2CCc2cccnc2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine?
The InChIKey is UQUYWXLBORVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-20(2)12-15-10-16(22-13-15)17-19-7-9-21(17)8-5-14-4-3-6-18-11-14/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[1-(2-pyridin-3-ylethyl)imidazol-2-yl]thiophen-3-yl]methanamine is sourced from PubChem (CID 56862847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).