N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide

C17H19N5O2S2 — CID 127912473

IUPACN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
SMILESCc1ccc(N2CCCC(NS(=O)(=O)c3ccc4ncsc4c3)C2)nn1
InChIInChI=1S/C17H19N5O2S2/c1-12-4-7-17(20-19-12)22-8-2-3-13(10-22)21-26(23,24)14-5-6-15-16(9-14)25-11-18-15/h4-7,9,11,13,21H,2-3,8,10H2,1H3
InChIKeyDJDPBGBTMZZGCJ-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide (PubChem CID 127912473) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
PubChem CID127912473
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC NameN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
SMILESCc1ccc(N2CCCC(NS(=O)(=O)c3ccc4ncsc4c3)C2)nn1
InChIInChI=1S/C17H19N5O2S2/c1-12-4-7-17(20-19-12)22-8-2-3-13(10-22)21-26(23,24)14-5-6-15-16(9-14)25-11-18-15/h4-7,9,11,13,21H,2-3,8,10H2,1H3
InChIKeyDJDPBGBTMZZGCJ-UHFFFAOYSA-N
XLogP2.34
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-methoxy-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]propane-1-sulfonamide
CID 124887107
N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide
CID 128846185
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
CID 133294753
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
CID 159350919
1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 121118462
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
CID 146150664
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide (CID 127912473) is N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide is Cc1ccc(N2CCCC(NS(=O)(=O)c3ccc4ncsc4c3)C2)nn1.
What is the InChIKey of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide?
The InChIKey is DJDPBGBTMZZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-12-4-7-17(20-19-12)22-8-2-3-13(10-22)21-26(23,24)14-5-6-15-16(9-14)25-11-18-15/h4-7,9,11,13,21H,2-3,8,10H2,1H3.
What are the key properties of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide?
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide has a molecular weight of 389.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 127912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).