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

C15H10ClFN4OS — CID 113047822

IUPACN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)c1cccs1
InChIInChI=1S/C15H10ClFN4OS/c16-10-8-9(3-4-11(10)17)18-13-5-6-14(21-20-13)19-15(22)12-2-1-7-23-12/h1-8H,(H,18,20)(H,19,21,22)
InChIKeyJGRSMNHAXXCUAL-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.33
Rot. Bonds4

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

N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113047822) has the molecular formula C15H10ClFN4OS and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113047822
Molecular FormulaC15H10ClFN4OS
Molecular Weight348.79 g/mol
Exact Mass348.02
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)c1cccs1
InChIInChI=1S/C15H10ClFN4OS/c16-10-8-9(3-4-11(10)17)18-13-5-6-14(21-20-13)19-15(22)12-2-1-7-23-12/h1-8H,(H,18,20)(H,19,21,22)
InChIKeyJGRSMNHAXXCUAL-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113047822) is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)c1cccs1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is JGRSMNHAXXCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4OS/c16-10-8-9(3-4-11(10)17)18-13-5-6-14(21-20-13)19-15(22)12-2-1-7-23-12/h1-8H,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113047822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).