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

C20H21N5OS — CID 121028016

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C20H21N5OS/c26-19(17-9-10-18(24-23-17)25-11-5-2-6-12-25)21-13-16-14-27-20(22-16)15-7-3-1-4-8-15/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,21,26)
InChIKeyHYIYGBNDOUBKPQ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.52
Rot. Bonds5

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

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121028016) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121028016
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C20H21N5OS/c26-19(17-9-10-18(24-23-17)25-11-5-2-6-12-25)21-13-16-14-27-20(22-16)15-7-3-1-4-8-15/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,21,26)
InChIKeyHYIYGBNDOUBKPQ-UHFFFAOYSA-N
XLogP3.52
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027807
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027863
N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119529366

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121028016) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HYIYGBNDOUBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(17-9-10-18(24-23-17)25-11-5-2-6-12-25)21-13-16-14-27-20(22-16)15-7-3-1-4-8-15/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,21,26).
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).