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

C23H19N5O2S — CID 78883708

IUPAC1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)s2)cc1
InChIInChI=1S/C23H19N5O2S/c24-13-17-8-6-16(7-9-17)12-19-14-25-23(31-19)26-22(30)20-10-11-21(29)28(27-20)15-18-4-2-1-3-5-18/h1-9,14H,10-12,15H2,(H,25,26,30)
InChIKeyQAIVPWKSQNAUCE-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.72
Rot. Bonds6

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

1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 78883708) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID78883708
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)s2)cc1
InChIInChI=1S/C23H19N5O2S/c24-13-17-8-6-16(7-9-17)12-19-14-25-23(31-19)26-22(30)20-10-11-21(29)28(27-20)15-18-4-2-1-3-5-18/h1-9,14H,10-12,15H2,(H,25,26,30)
InChIKeyQAIVPWKSQNAUCE-UHFFFAOYSA-N
XLogP3.72
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 78883708) is 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is N#Cc1ccc(Cc2cnc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)s2)cc1.
What is the InChIKey of 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QAIVPWKSQNAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c24-13-17-8-6-16(7-9-17)12-19-14-25-23(31-19)26-22(30)20-10-11-21(29)28(27-20)15-18-4-2-1-3-5-18/h1-9,14H,10-12,15H2,(H,25,26,30).
What are the key properties of 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 78883708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).