1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

C14H14N4S — CID 106895025

IUPAC1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1nc2ccccc2s1
InChIInChI=1S/C14H14N4S/c1-10(15-9-11-5-4-8-16-18-11)14-17-12-6-2-3-7-13(12)19-14/h2-8,10,15H,9H2,1H3
InChIKeyWSOFYTCNPDCHQJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.94
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895025) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895025
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1nc2ccccc2s1
InChIInChI=1S/C14H14N4S/c1-10(15-9-11-5-4-8-16-18-11)14-17-12-6-2-3-7-13(12)19-14/h2-8,10,15H,9H2,1H3
InChIKeyWSOFYTCNPDCHQJ-UHFFFAOYSA-N
XLogP2.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846238
1-(1,3-benzothiazol-2-yl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 60671755
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777122
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
CID 113261488
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895025) is 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is CC(NCc1cccnn1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is WSOFYTCNPDCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10(15-9-11-5-4-8-16-18-11)14-17-12-6-2-3-7-13(12)19-14/h2-8,10,15H,9H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).