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

C17H18N4O2S — CID 72857210

IUPAC5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ncc(Cn2ncc(N(C)C)cc2=O)s1
InChIInChI=1S/C17H18N4O2S/c1-20(2)12-8-16(22)21(19-9-12)11-13-10-18-17(24-13)14-6-4-5-7-15(14)23-3/h4-10H,11H2,1-3H3
InChIKeyHGAMJHFUXCIIFS-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.49
Rot. Bonds5

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

5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 72857210) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
PubChem CID72857210
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-c1ncc(Cn2ncc(N(C)C)cc2=O)s1
InChIInChI=1S/C17H18N4O2S/c1-20(2)12-8-16(22)21(19-9-12)11-13-10-18-17(24-13)14-6-4-5-7-15(14)23-3/h4-10H,11H2,1-3H3
InChIKeyHGAMJHFUXCIIFS-UHFFFAOYSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one (CID 72857210) is 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one is COc1ccccc1-c1ncc(Cn2ncc(N(C)C)cc2=O)s1.
What is the InChIKey of 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is HGAMJHFUXCIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-20(2)12-8-16(22)21(19-9-12)11-13-10-18-17(24-13)14-6-4-5-7-15(14)23-3/h4-10H,11H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one?
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 72857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).