4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one

C19H21ClN6O2S — CID 133358183

IUPAC4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOCCc1nsc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n1
InChIInChI=1S/C19H21ClN6O2S/c1-28-12-7-16-22-19(29-23-16)25-10-8-24(9-11-25)15-13-21-26(18(27)17(15)20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyQPTSMHHLAKVIFT-UHFFFAOYSA-N
MW432.94 g/mol
LogP2.25
Rot. Bonds6

About 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 133358183) has the molecular formula C19H21ClN6O2S and a molecular weight of 432.94 g/mol. Its IUPAC name is 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID133358183
Molecular FormulaC19H21ClN6O2S
Molecular Weight432.94 g/mol
Exact Mass432.11
IUPAC Name4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOCCc1nsc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n1
InChIInChI=1S/C19H21ClN6O2S/c1-28-12-7-16-22-19(29-23-16)25-10-8-24(9-11-25)15-13-21-26(18(27)17(15)20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyQPTSMHHLAKVIFT-UHFFFAOYSA-N
XLogP2.25
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.94
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 133358183) is 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one is COCCc1nsc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n1.
What is the InChIKey of 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is QPTSMHHLAKVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2S/c1-28-12-7-16-22-19(29-23-16)25-10-8-24(9-11-25)15-13-21-26(18(27)17(15)20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 432.94 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133358183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).