N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H20N6OS — CID 30364899

IUPACN-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H20N6OS/c29-21(25-22-24-18-3-1-2-4-19(18)30-22)16-9-13-28(14-10-16)20-6-5-17(26-27-20)15-7-11-23-12-8-15/h1-8,11-12,16H,9-10,13-14H2,(H,24,25,29)
InChIKeyDLQKTSULPMJTPX-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.00
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364899) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30364899
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H20N6OS/c29-21(25-22-24-18-3-1-2-4-19(18)30-22)16-9-13-28(14-10-16)20-6-5-17(26-27-20)15-7-11-23-12-8-15/h1-8,11-12,16H,9-10,13-14H2,(H,24,25,29)
InChIKeyDLQKTSULPMJTPX-UHFFFAOYSA-N
XLogP4.00
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071009
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071643
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 30364763
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364662
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118896
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364899) is N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DLQKTSULPMJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-21(25-22-24-18-3-1-2-4-19(18)30-22)16-9-13-28(14-10-16)20-6-5-17(26-27-20)15-7-11-23-12-8-15/h1-8,11-12,16H,9-10,13-14H2,(H,24,25,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).