1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H17FN4O2S — CID 139521411

IUPAC1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O
InChIInChI=1S/C17H17FN4O2S/c1-2-22-15(23)7-6-14(21-22)16(24)20-17-19-10-13(25-17)9-11-4-3-5-12(18)8-11/h3-5,8,10H,2,6-7,9H2,1H3,(H,19,20,24)
InChIKeyXGNRDIPNQLFIDR-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.81
Rot. Bonds5

About 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521411) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521411
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O
InChIInChI=1S/C17H17FN4O2S/c1-2-22-15(23)7-6-14(21-22)16(24)20-17-19-10-13(25-17)9-11-4-3-5-12(18)8-11/h3-5,8,10H,2,6-7,9H2,1H3,(H,19,20,24)
InChIKeyXGNRDIPNQLFIDR-UHFFFAOYSA-N
XLogP2.81
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521411) is 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O.
What is the InChIKey of 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XGNRDIPNQLFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-2-22-15(23)7-6-14(21-22)16(24)20-17-19-10-13(25-17)9-11-4-3-5-12(18)8-11/h3-5,8,10H,2,6-7,9H2,1H3,(H,19,20,24).
What are the key properties of 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).