N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C19H16N4O3S — CID 33004368

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1=O
InChIInChI=1S/C19H16N4O3S/c1-2-9-23-17(24)8-7-13(22-23)18(25)21-19-20-14(11-27-19)16-10-12-5-3-4-6-15(12)26-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,25)
InChIKeyJGQZMJZXCWVIGY-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.78
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 33004368) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID33004368
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1=O
InChIInChI=1S/C19H16N4O3S/c1-2-9-23-17(24)8-7-13(22-23)18(25)21-19-20-14(11-27-19)16-10-12-5-3-4-6-15(12)26-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,25)
InChIKeyJGQZMJZXCWVIGY-UHFFFAOYSA-N
XLogP3.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 27991229
1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 16549936
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8702482
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 112812456
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 33004368) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1=O.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is JGQZMJZXCWVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-9-23-17(24)8-7-13(22-23)18(25)21-19-20-14(11-27-19)16-10-12-5-3-4-6-15(12)26-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,25).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 33004368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).