N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine

C10H12N4S — CID 165457032

IUPACN-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2ccnnc2)n1
InChIInChI=1S/C10H12N4S/c1-2-11-6-9-7-15-10(14-9)8-3-4-12-13-5-8/h3-5,7,11H,2,6H2,1H3
InChIKeyXPQDODOPLDPFGG-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.71
Rot. Bonds4

About N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 165457032) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID165457032
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2ccnnc2)n1
InChIInChI=1S/C10H12N4S/c1-2-11-6-9-7-15-10(14-9)8-3-4-12-13-5-8/h3-5,7,11H,2,6H2,1H3
InChIKeyXPQDODOPLDPFGG-UHFFFAOYSA-N
XLogP1.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62346325
N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 115381103
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79976896
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
2-pyridazin-4-yl-1,3-thiazol-4-amine
CID 162678923

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 165457032) is N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1csc(-c2ccnnc2)n1.
What is the InChIKey of N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is XPQDODOPLDPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-11-6-9-7-15-10(14-9)8-3-4-12-13-5-8/h3-5,7,11H,2,6H2,1H3.
What are the key properties of N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 220.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 165457032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).