2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine

C11H14N4S — CID 106895634

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1ncsc1CCNCc1cccnn1
InChIInChI=1S/C11H14N4S/c1-9-11(16-8-13-9)4-6-12-7-10-3-2-5-14-15-10/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyOWRDFZQHGUCCBU-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.57
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine

2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895634) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895634
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1ncsc1CCNCc1cccnn1
InChIInChI=1S/C11H14N4S/c1-9-11(16-8-13-9)4-6-12-7-10-3-2-5-14-15-10/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyOWRDFZQHGUCCBU-UHFFFAOYSA-N
XLogP1.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895634) is 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine is Cc1ncsc1CCNCc1cccnn1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is OWRDFZQHGUCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-9-11(16-8-13-9)4-6-12-7-10-3-2-5-14-15-10/h2-3,5,8,12H,4,6-7H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 234.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).