N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H19ClN4O3S — CID 16593661

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H19ClN4O3S/c1-13-8-9-16(12-17(13)24)28-19(30)11-10-18(27-28)22(31)26-23-25-20(21(32-23)14(2)29)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,25,26,31)
InChIKeyNAKKCYACHOPUDD-UHFFFAOYSA-N
MW466.95 g/mol
LogP5.10
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 16593661) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID16593661
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H19ClN4O3S/c1-13-8-9-16(12-17(13)24)28-19(30)11-10-18(27-28)22(31)26-23-25-20(21(32-23)14(2)29)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,25,26,31)
InChIKeyNAKKCYACHOPUDD-UHFFFAOYSA-N
XLogP5.10
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 24687299
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16600449
1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 32607122
1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 17454351
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952111
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 26196541
ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2325473
2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
CID 28829622

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 16593661) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(=O)c1sc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NAKKCYACHOPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-13-8-9-16(12-17(13)24)28-19(30)11-10-18(27-28)22(31)26-23-25-20(21(32-23)14(2)29)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,25,26,31).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 16593661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).