1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C23H20ClN5O2S — CID 46586048

IUPAC1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C23H20ClN5O2S/c24-20-8-9-21(28-27-20)29-12-10-15(11-13-29)22(30)26-23-25-18-7-6-17(14-19(18)32-23)31-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,25,26,30)
InChIKeyHUUMPOSOIXHEHN-UHFFFAOYSA-N
MW465.97 g/mol
LogP5.39
Rot. Bonds5

About 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 46586048) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID46586048
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C23H20ClN5O2S/c24-20-8-9-21(28-27-20)29-12-10-15(11-13-29)22(30)26-23-25-18-7-6-17(14-19(18)32-23)31-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,25,26,30)
InChIKeyHUUMPOSOIXHEHN-UHFFFAOYSA-N
XLogP5.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.97
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 46491516
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118896
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 90611573
cis-(1R,2S)-2-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 97016318
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702
1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46698174

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 46586048) is 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HUUMPOSOIXHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c24-20-8-9-21(28-27-20)29-12-10-15(11-13-29)22(30)26-23-25-18-7-6-17(14-19(18)32-23)31-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,25,26,30).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 465.97 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46586048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).