N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide

C21H15FN4O2S — CID 86264886

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)nn1
InChIInChI=1S/C21H15FN4O2S/c1-28-19-11-10-17(25-26-19)20(27)23-16-9-5-3-7-14(16)18-12-29-21(24-18)13-6-2-4-8-15(13)22/h2-12H,1H3,(H,23,27)
InChIKeyZNBYPOFTVPMZIC-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.67
Rot. Bonds5

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide (PubChem CID 86264886) has the molecular formula C21H15FN4O2S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
PubChem CID86264886
Molecular FormulaC21H15FN4O2S
Molecular Weight406.44 g/mol
Exact Mass406.09
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)nn1
InChIInChI=1S/C21H15FN4O2S/c1-28-19-11-10-17(25-26-19)20(27)23-16-9-5-3-7-14(16)18-12-29-21(24-18)13-6-2-4-8-15(13)22/h2-12H,1H3,(H,23,27)
InChIKeyZNBYPOFTVPMZIC-UHFFFAOYSA-N
XLogP4.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
CID 90626314
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 121148552
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 90626352
1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
CID 121149602
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121148662
3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121148716
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 121148583
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121149565
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide (CID 86264886) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)nn1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide?
The InChIKey is ZNBYPOFTVPMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2S/c1-28-19-11-10-17(25-26-19)20(27)23-16-9-5-3-7-14(16)18-12-29-21(24-18)13-6-2-4-8-15(13)22/h2-12H,1H3,(H,23,27).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 86264886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).