N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C21H22N4O2S — CID 122278139

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(C(=O)NCCn2nc(C3CC3)ccc2=O)s1
InChIInChI=1S/C21H22N4O2S/c1-13-5-3-4-6-16(13)21-23-14(2)19(28-21)20(27)22-11-12-25-18(26)10-9-17(24-25)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,22,27)
InChIKeyBAAKOCATEMFFEW-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 122278139) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID122278139
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(C(=O)NCCn2nc(C3CC3)ccc2=O)s1
InChIInChI=1S/C21H22N4O2S/c1-13-5-3-4-6-16(13)21-23-14(2)19(28-21)20(27)22-11-12-25-18(26)10-9-17(24-25)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,22,27)
InChIKeyBAAKOCATEMFFEW-UHFFFAOYSA-N
XLogP3.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122278048
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122277985
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 122278139) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1-c1nc(C)c(C(=O)NCCn2nc(C3CC3)ccc2=O)s1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BAAKOCATEMFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13-5-3-4-6-16(13)21-23-14(2)19(28-21)20(27)22-11-12-25-18(26)10-9-17(24-25)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122278139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).