4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one

C11H13BrN4OS — CID 113239418

IUPAC4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)c1nccs1
InChIInChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3
InChIKeyXCHPOVGPAOZXEM-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.56
Rot. Bonds4

About 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one

4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one (PubChem CID 113239418) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
PubChem CID113239418
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)c1nccs1
InChIInChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3
InChIKeyXCHPOVGPAOZXEM-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
CID 115644216
4-bromo-5-[1-(1,3-thiazol-2-yl)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114438767
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
CID 167774575
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81244022
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one (CID 113239418) is 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one is CCC(Nc1cnn(C)c(=O)c1Br)c1nccs1.
What is the InChIKey of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The InChIKey is XCHPOVGPAOZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one has a molecular weight of 329.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one is sourced from PubChem (CID 113239418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).