N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

C20H18N6OS2 — CID 121071371

IUPACN-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C20H18N6OS2/c27-20(21-15-5-1-6-16-19(15)25-29-24-16)13-4-2-10-26(12-13)18-9-8-14(22-23-18)17-7-3-11-28-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,27)
InChIKeyCXIBOVSMQYDTTK-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.06
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071371) has the molecular formula C20H18N6OS2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071371
Molecular FormulaC20H18N6OS2
Molecular Weight422.54 g/mol
Exact Mass422.10
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C20H18N6OS2/c27-20(21-15-5-1-6-16-19(15)25-29-24-16)13-4-2-10-26(12-13)18-9-8-14(22-23-18)17-7-3-11-28-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,27)
InChIKeyCXIBOVSMQYDTTK-UHFFFAOYSA-N
XLogP4.06
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992999
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519336
N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071432
1-(6-methylpyridazin-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 121118677
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 97104664
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545446
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071423
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027765

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071371) is N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-c3cccs3)nn2)C1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is CXIBOVSMQYDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS2/c27-20(21-15-5-1-6-16-19(15)25-29-24-16)13-4-2-10-26(12-13)18-9-8-14(22-23-18)17-7-3-11-28-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,27).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 422.54 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).