1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide

C20H22N6O3S2 — CID 121118462

IUPAC1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)nn1
InChIInChI=1S/C20H22N6O3S2/c1-14-4-9-18(24-23-14)26-11-2-3-15(13-26)19(27)22-16-5-7-17(8-6-16)31(28,29)25-20-21-10-12-30-20/h4-10,12,15H,2-3,11,13H2,1H3,(H,21,25)(H,22,27)
InChIKeyGMNIEULXHSOUQC-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.90
Rot. Bonds6

About 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 121118462) has the molecular formula C20H22N6O3S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID121118462
Molecular FormulaC20H22N6O3S2
Molecular Weight458.57 g/mol
Exact Mass458.12
IUPAC Name1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)nn1
InChIInChI=1S/C20H22N6O3S2/c1-14-4-9-18(24-23-14)26-11-2-3-15(13-26)19(27)22-16-5-7-17(8-6-16)31(28,29)25-20-21-10-12-30-20/h4-10,12,15H,2-3,11,13H2,1H3,(H,21,25)(H,22,27)
InChIKeyGMNIEULXHSOUQC-UHFFFAOYSA-N
XLogP2.90
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 121071634
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 30364674
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070751
N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601007
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
CID 70789381
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2933069
(3R)-1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2218530
1-(6-methylpyridazin-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 121118677

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 121118462) is 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GMNIEULXHSOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S2/c1-14-4-9-18(24-23-14)26-11-2-3-15(13-26)19(27)22-16-5-7-17(8-6-16)31(28,29)25-20-21-10-12-30-20/h4-10,12,15H,2-3,11,13H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 121118462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).