N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide

C19H16N6OS — CID 56765950

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C19H16N6OS/c26-18(16-7-8-17(24-23-16)25-12-4-10-21-25)20-11-9-15-13-27-19(22-15)14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H,20,26)
InChIKeyIWONHPPCEGZLSC-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide (PubChem CID 56765950) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
PubChem CID56765950
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C19H16N6OS/c26-18(16-7-8-17(24-23-16)25-12-4-10-21-25)20-11-9-15-13-27-19(22-15)14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H,20,26)
InChIKeyIWONHPPCEGZLSC-UHFFFAOYSA-N
XLogP2.76
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-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-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide (CID 56765950) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cccn2)nn1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
The InChIKey is IWONHPPCEGZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c26-18(16-7-8-17(24-23-16)25-12-4-10-21-25)20-11-9-15-13-27-19(22-15)14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H,20,26).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-6-pyrazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 56765950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).