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

C24H22ClN5O3S — CID 16600449

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(C)c(Cl)c4)C(=O)CC3)n2)cc1
InChIInChI=1S/C24H22ClN5O3S/c1-14-3-8-18(11-19(14)25)30-22(32)10-9-20(29-30)23(33)28-24-27-21(13-34-24)17-6-4-16(5-7-17)12-26-15(2)31/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,31)(H,27,28,33)
InChIKeyVMYCCPIWFOYEGB-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.53
Rot. Bonds6

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

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 16600449) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID16600449
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(C)c(Cl)c4)C(=O)CC3)n2)cc1
InChIInChI=1S/C24H22ClN5O3S/c1-14-3-8-18(11-19(14)25)30-22(32)10-9-20(29-30)23(33)28-24-27-21(13-34-24)17-6-4-16(5-7-17)12-26-15(2)31/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,31)(H,27,28,33)
InChIKeyVMYCCPIWFOYEGB-UHFFFAOYSA-N
XLogP4.53
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4655727
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 31525747
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
CID 25483703
1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 32607122
1-(3-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46632756
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 16600449) is N-[4-[4-(acetamidomethyl)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-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(C)c(Cl)c4)C(=O)CC3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VMYCCPIWFOYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-14-3-8-18(11-19(14)25)30-22(32)10-9-20(29-30)23(33)28-24-27-21(13-34-24)17-6-4-16(5-7-17)12-26-15(2)31/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,31)(H,27,28,33).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 495.99 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 16600449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).