6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C19H17ClN6O2S — CID 168893397

IUPAC6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCCNc1noc(Cn2nc(-c3sc(-c4cccc(Cl)c4)nc3C)ccc2=O)n1
InChIInChI=1S/C19H17ClN6O2S/c1-3-21-19-23-15(28-25-19)10-26-16(27)8-7-14(24-26)17-11(2)22-18(29-17)12-5-4-6-13(20)9-12/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKeyCTFMXBQDYHAOHR-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.86
Rot. Bonds6

About 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 168893397) has the molecular formula C19H17ClN6O2S and a molecular weight of 428.91 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID168893397
Molecular FormulaC19H17ClN6O2S
Molecular Weight428.91 g/mol
Exact Mass428.08
IUPAC Name6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCCNc1noc(Cn2nc(-c3sc(-c4cccc(Cl)c4)nc3C)ccc2=O)n1
InChIInChI=1S/C19H17ClN6O2S/c1-3-21-19-23-15(28-25-19)10-26-16(27)8-7-14(24-26)17-11(2)22-18(29-17)12-5-4-6-13(20)9-12/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKeyCTFMXBQDYHAOHR-UHFFFAOYSA-N
XLogP3.86
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 168893397) is 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is CCNc1noc(Cn2nc(-c3sc(-c4cccc(Cl)c4)nc3C)ccc2=O)n1.
What is the InChIKey of 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is CTFMXBQDYHAOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S/c1-3-21-19-23-15(28-25-19)10-26-16(27)8-7-14(24-26)17-11(2)22-18(29-17)12-5-4-6-13(20)9-12/h4-9H,3,10H2,1-2H3,(H,21,25).
What are the key properties of 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 428.91 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[[3-(ethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 168893397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).