N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide

C15H10Cl2N4OS — CID 113050818

IUPACN-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)c1cccs1
InChIInChI=1S/C15H10Cl2N4OS/c16-9-3-4-10(17)11(8-9)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)
InChIKeyDYXLXHQISZXWRU-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.84
Rot. Bonds4

About N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113050818) has the molecular formula C15H10Cl2N4OS and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113050818
Molecular FormulaC15H10Cl2N4OS
Molecular Weight365.25 g/mol
Exact Mass364.00
IUPAC NameN-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)c1cccs1
InChIInChI=1S/C15H10Cl2N4OS/c16-9-3-4-10(17)11(8-9)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)
InChIKeyDYXLXHQISZXWRU-UHFFFAOYSA-N
XLogP4.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
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-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113050818) is N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)c1cccs1.
What is the InChIKey of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is DYXLXHQISZXWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4OS/c16-9-3-4-10(17)11(8-9)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-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).