N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C18H21N7OS — CID 52993004

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)sc1C
InChIInChI=1S/C18H21N7OS/c1-12-13(2)27-18(20-12)21-17(26)14-5-3-9-24(11-14)15-6-7-16(23-22-15)25-10-4-8-19-25/h4,6-8,10,14H,3,5,9,11H2,1-2H3,(H,20,21,26)
InChIKeyJIVOGRDLCSLLNC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.59
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52993004) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52993004
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)sc1C
InChIInChI=1S/C18H21N7OS/c1-12-13(2)27-18(20-12)21-17(26)14-5-3-9-24(11-14)15-6-7-16(23-22-15)25-10-4-8-19-25/h4,6-8,10,14H,3,5,9,11H2,1-2H3,(H,20,21,26)
InChIKeyJIVOGRDLCSLLNC-UHFFFAOYSA-N
XLogP2.59
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 42654945
N-[4-[[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 53621160
N-[4-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 56802066
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56802078
1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 52907581
1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(thiazol-2-yl)piperidine-3-carboxamide
CID 56724699
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
1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)-N-(4,5-dimethylthiazol-2-yl)piperidine-3-carboxamide
CID 52993040
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 71795562
ethyl {2-[(S)-1-[6-(1H-1,2,4-triazol-1-yl)-3-pyridazinyl]-3-piperidylcarbonylamino]-1,3-thiazol-4-yl}acetate
CID 97428788
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97263839

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52993004) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is JIVOGRDLCSLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-12-13(2)27-18(20-12)21-17(26)14-5-3-9-24(11-14)15-6-7-16(23-22-15)25-10-4-8-19-25/h4,6-8,10,14H,3,5,9,11H2,1-2H3,(H,20,21,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52993004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).