N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide

C22H18N4O2S — CID 55883933

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cn2nc(-c3ccccc3)ccc2=O)c2ccccc2)n1
InChIInChI=1S/C22H18N4O2S/c1-16-15-29-22(23-16)26(18-10-6-3-7-11-18)21(28)14-25-20(27)13-12-19(24-25)17-8-4-2-5-9-17/h2-13,15H,14H2,1H3
InChIKeyGUKMEGMVTWQNES-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.04
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide (PubChem CID 55883933) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
PubChem CID55883933
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cn2nc(-c3ccccc3)ccc2=O)c2ccccc2)n1
InChIInChI=1S/C22H18N4O2S/c1-16-15-29-22(23-16)26(18-10-6-3-7-11-18)21(28)14-25-20(27)13-12-19(24-25)17-8-4-2-5-9-17/h2-13,15H,14H2,1H3
InChIKeyGUKMEGMVTWQNES-UHFFFAOYSA-N
XLogP4.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 9115745
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42997737
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide (CID 55883933) is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide is Cc1csc(N(C(=O)Cn2nc(-c3ccccc3)ccc2=O)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide?
The InChIKey is GUKMEGMVTWQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-16-15-29-22(23-16)26(18-10-6-3-7-11-18)21(28)14-25-20(27)13-12-19(24-25)17-8-4-2-5-9-17/h2-13,15H,14H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide has a molecular weight of 402.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 55883933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).