2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine

C10H10ClN3S — CID 116833571

IUPAC2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine
SMILESNCC(c1cccnn1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3S/c11-10-4-3-9(15-10)7(6-12)8-2-1-5-13-14-8/h1-5,7H,6,12H2
InChIKeyJKPWUOHZUNNLAJ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine

2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine (PubChem CID 116833571) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine
PubChem CID116833571
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine
SMILESNCC(c1cccnn1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3S/c11-10-4-3-9(15-10)7(6-12)8-2-1-5-13-14-8/h1-5,7H,6,12H2
InChIKeyJKPWUOHZUNNLAJ-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanamine
CID 83987226
2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 83987490
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 80526991
3-amino-2-pyridazin-3-ylpropan-1-ol
CID 63216101
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116833612
(3-chloro-2-pyridinyl)-(5-chlorothiophen-2-yl)methanamine
CID 103443950
(5-chlorothiophen-2-yl)-pyridin-2-ylmethanol
CID 79021425
2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine
CID 116833589
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine (CID 116833571) is 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine is NCC(c1cccnn1)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The InChIKey is JKPWUOHZUNNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-10-4-3-9(15-10)7(6-12)8-2-1-5-13-14-8/h1-5,7H,6,12H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine?
2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine has a molecular weight of 239.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine is sourced from PubChem (CID 116833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).