ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate

C18H16N4O3S — CID 113050437

IUPACethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-2-25-18(24)12-5-7-13(8-6-12)19-15-9-10-16(22-21-15)20-17(23)14-4-3-11-26-14/h3-11H,2H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyAICBMFNATGJYNK-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.71
Rot. Bonds6

About ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate

ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate (PubChem CID 113050437) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
PubChem CID113050437
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Nameethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-2-25-18(24)12-5-7-13(8-6-12)19-15-9-10-16(22-21-15)20-17(23)14-4-3-11-26-14/h3-11H,2H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyAICBMFNATGJYNK-UHFFFAOYSA-N
XLogP3.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
ethyl 4-[[6-[(3,4-difluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113050458
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
ethyl 4-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127130
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate (CID 113050437) is ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1.
What is the InChIKey of ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate?
The InChIKey is AICBMFNATGJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-2-25-18(24)12-5-7-13(8-6-12)19-15-9-10-16(22-21-15)20-17(23)14-4-3-11-26-14/h3-11H,2H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate?
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate has a molecular weight of 368.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113050437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).