N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C19H21N5OS — CID 121118896

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCN(c4ccc(C)nn4)CC3)sc2c1
InChIInChI=1S/C19H21N5OS/c1-12-3-5-15-16(11-12)26-19(20-15)21-18(25)14-7-9-24(10-8-14)17-6-4-13(2)22-23-17/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,25)
InChIKeyJWHDHGQOQDTMJF-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.56
Rot. Bonds3

About N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121118896) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121118896
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCN(c4ccc(C)nn4)CC3)sc2c1
InChIInChI=1S/C19H21N5OS/c1-12-3-5-15-16(11-12)26-19(20-15)21-18(25)14-7-9-24(10-8-14)17-6-4-13(2)22-23-17/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,25)
InChIKeyJWHDHGQOQDTMJF-UHFFFAOYSA-N
XLogP3.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907639
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46586048
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121118896) is N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc2nc(NC(=O)C3CCN(c4ccc(C)nn4)CC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is JWHDHGQOQDTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-3-5-15-16(11-12)26-19(20-15)21-18(25)14-7-9-24(10-8-14)17-6-4-13(2)22-23-17/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,25).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).