2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H21N7O2S — CID 122355311

IUPAC2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H21N7O2S/c27-19(14-1-2-16-17(11-14)23-29-22-16)26-5-3-25(4-6-26)18-12-15(13-20-21-18)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2
InChIKeyAJIDKLMSQLVZRE-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.28
Rot. Bonds3

About 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122355311) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122355311
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H21N7O2S/c27-19(14-1-2-16-17(11-14)23-29-22-16)26-5-3-25(4-6-26)18-12-15(13-20-21-18)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2
InChIKeyAJIDKLMSQLVZRE-UHFFFAOYSA-N
XLogP1.28
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968957
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
2,1,3-benzothiadiazol-5-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 119102259
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122355311) is 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc2nsnc2c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is AJIDKLMSQLVZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c27-19(14-1-2-16-17(11-14)23-29-22-16)26-5-3-25(4-6-26)18-12-15(13-20-21-18)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 411.49 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122355311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).