N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine

C15H15N3S — CID 105172732

IUPACN-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc2ccsc12
InChIInChI=1S/C15H15N3S/c1-2-16-14(12-6-8-17-18-10-12)13-5-3-4-11-7-9-19-15(11)13/h3-10,14,16H,2H2,1H3
InChIKeySXKMHFBSOBLSLL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds4

About N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine (PubChem CID 105172732) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
PubChem CID105172732
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc2ccsc12
InChIInChI=1S/C15H15N3S/c1-2-16-14(12-6-8-17-18-10-12)13-5-3-4-11-7-9-19-15(11)13/h3-10,14,16H,2H2,1H3
InChIKeySXKMHFBSOBLSLL-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105172840
N-[1-benzothiophen-7-yl-(4-bromo-3-fluorophenyl)methyl]ethanamine
CID 105022096
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[1-benzothiophen-7-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105022095
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[1-benzothiophen-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105022091

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine (CID 105172732) is N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine is CCNC(c1ccnnc1)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine?
The InChIKey is SXKMHFBSOBLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-16-14(12-6-8-17-18-10-12)13-5-3-4-11-7-9-19-15(11)13/h3-10,14,16H,2H2,1H3.
What are the key properties of N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105172732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).