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

C13H19N5OS — CID 114397228

IUPAC5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
SMILESCCCNc1ncc(Cn2ncc(N(C)C)cc2=O)s1
InChIInChI=1S/C13H19N5OS/c1-4-5-14-13-15-8-11(20-13)9-18-12(19)6-10(7-16-18)17(2)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyQBBOSAPAELDMCK-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.64
Rot. Bonds6

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

5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 114397228) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
PubChem CID114397228
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
SMILESCCCNc1ncc(Cn2ncc(N(C)C)cc2=O)s1
InChIInChI=1S/C13H19N5OS/c1-4-5-14-13-15-8-11(20-13)9-18-12(19)6-10(7-16-18)17(2)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyQBBOSAPAELDMCK-UHFFFAOYSA-N
XLogP1.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774651
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one
CID 79774257
1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 79775303
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-[(4-nitropyrazol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775296
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
CID 79775133
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one
CID 79760651
5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
CID 79774186
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one (CID 114397228) is 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one is CCCNc1ncc(Cn2ncc(N(C)C)cc2=O)s1.
What is the InChIKey of 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is QBBOSAPAELDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-5-14-13-15-8-11(20-13)9-18-12(19)6-10(7-16-18)17(2)3/h6-8H,4-5,9H2,1-3H3,(H,14,15).
What are the key properties of 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 293.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 114397228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).