N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide

C15H11FN4OS — CID 113047251

IUPACN-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C15H11FN4OS/c16-10-3-5-11(6-4-10)17-13-7-8-14(20-19-13)18-15(21)12-2-1-9-22-12/h1-9H,(H,17,19)(H,18,20,21)
InChIKeyCEXKGBBJJGWVDT-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.67
Rot. Bonds4

About N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113047251) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113047251
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC NameN-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C15H11FN4OS/c16-10-3-5-11(6-4-10)17-13-7-8-14(20-19-13)18-15(21)12-2-1-9-22-12/h1-9H,(H,17,19)(H,18,20,21)
InChIKeyCEXKGBBJJGWVDT-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113047251) is N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccs1.
What is the InChIKey of N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is CEXKGBBJJGWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-10-3-5-11(6-4-10)17-13-7-8-14(20-19-13)18-15(21)12-2-1-9-22-12/h1-9H,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113047251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).