N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C17H20N8OS — CID 71810936

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)sc1C
InChIInChI=1S/C17H20N8OS/c1-11-12(2)27-17(20-11)21-16(26)13-4-3-7-24(8-13)14-5-6-15(23-22-14)25-10-18-9-19-25/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,21,26)
InChIKeyJPWUVARTVGLJTO-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.99
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 71810936) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID71810936
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)sc1C
InChIInChI=1S/C17H20N8OS/c1-11-12(2)27-17(20-11)21-16(26)13-4-3-7-24(8-13)14-5-6-15(23-22-14)25-10-18-9-19-25/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,21,26)
InChIKeyJPWUVARTVGLJTO-UHFFFAOYSA-N
XLogP1.99
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 71810936) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is JPWUVARTVGLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c1-11-12(2)27-17(20-11)21-16(26)13-4-3-7-24(8-13)14-5-6-15(23-22-14)25-10-18-9-19-25/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,21,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).