1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C20H23N7OS — CID 52907581

IUPAC1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H23N7OS/c28-19(23-20-22-15-4-1-2-5-16(15)29-20)14-8-12-26(13-9-14)17-6-7-18(25-24-17)27-11-3-10-21-27/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,22,23,28)
InChIKeyLWBRQKZLAJZIDQ-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.85
Rot. Bonds4

About 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 52907581) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID52907581
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H23N7OS/c28-19(23-20-22-15-4-1-2-5-16(15)29-20)14-8-12-26(13-9-14)17-6-7-18(25-24-17)27-11-3-10-21-27/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,22,23,28)
InChIKeyLWBRQKZLAJZIDQ-UHFFFAOYSA-N
XLogP2.85
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 25627377
2-(2-Methyl-1,3-thiazol-4-YL)-1-(4-{pyrazolo[1,5-A]pyrimidin-5-YL}piperidin-1-YL)ethanone
CID 110132802
2-(2,4-Dimethyl-1,3-thiazol-5-YL)-1-(4-{pyrazolo[1,5-A]pyrimidin-5-YL}piperidin-1-YL)ethanone
CID 110132838
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 52993004
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 52907569
1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)piperidine-3-carboxamide
CID 52993028
6-(1H-pyrazol-1-yl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)pyridazine-3-carboxamide
CID 56765925
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(4-(pyridin-3-yl)thiazol-2-yl)piperidine-4-carboxamide
CID 71810843
N-(1,3-benzothiazol-2-yl)-(S)-1-[6-(3,5-dimethyl-1-pyrazolyl)-4-pyrimidinyl]-3-piperidinecarboxamide
CID 95367740
N-(benzo[d]thiazol-2-yl)-1-(6-(pyridin-3-yl)pyridazin-3-yl)piperidine-4-carboxamide
CID 30365395
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24575562
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24581348

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 52907581) is 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc2c(s1)CCCC2)C1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LWBRQKZLAJZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c28-19(23-20-22-15-4-1-2-5-16(15)29-20)14-8-12-26(13-9-14)17-6-7-18(25-24-17)27-11-3-10-21-27/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,22,23,28).
What are the key properties of 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 52907581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).