N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C26H28N4O4S — CID 54176992

IUPACN-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4sc(C)nc4C)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C26H28N4O4S/c1-16-25(35-17(2)27-16)26(32)28-20-8-5-18(6-9-20)13-14-30-24(31)12-10-21(29-30)19-7-11-22(33-3)23(15-19)34-4/h5-9,11,15H,10,12-14H2,1-4H3,(H,28,32)
InChIKeyOZBWDEPEJSIECI-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.60
Rot. Bonds8

About N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 54176992) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID54176992
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4sc(C)nc4C)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C26H28N4O4S/c1-16-25(35-17(2)27-16)26(32)28-20-8-5-18(6-9-20)13-14-30-24(31)12-10-21(29-30)19-7-11-22(33-3)23(15-19)34-4/h5-9,11,15H,10,12-14H2,1-4H3,(H,28,32)
InChIKeyOZBWDEPEJSIECI-UHFFFAOYSA-N
XLogP4.60
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[4-[2-[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19358046
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623542
N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
CID 18623581
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55855136
N-[4-[[5-ethyl-6-[3-methoxy-4-(trifluoromethoxy)phenyl]-3,4-dioxo-2,5-dihydropyridin-2-yl]methyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 151540696
N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 18623361
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]propanamide
CID 18623336
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 141065667
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 141065647
N-[4-[2-[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19357917
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 15997935

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 54176992) is N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccc(C2=NN(CCc3ccc(NC(=O)c4sc(C)nc4C)cc3)C(=O)CC2)cc1OC.
What is the InChIKey of N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZBWDEPEJSIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-16-25(35-17(2)27-16)26(32)28-20-8-5-18(6-9-20)13-14-30-24(31)12-10-21(29-30)19-7-11-22(33-3)23(15-19)34-4/h5-9,11,15H,10,12-14H2,1-4H3,(H,28,32).
What are the key properties of N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54176992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).