N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H16N4O2S — CID 71795481

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H16N4O2S/c1-10-5-3-4-6-12(10)17-19-11(2)14(24-17)9-18-16(23)13-7-8-15(22)21-20-13/h3-8H,9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyGMZQMXBVKDIAIM-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.44
Rot. Bonds4

About N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71795481) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71795481
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H16N4O2S/c1-10-5-3-4-6-12(10)17-19-11(2)14(24-17)9-18-16(23)13-7-8-15(22)21-20-13/h3-8H,9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyGMZQMXBVKDIAIM-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121123180
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 90547242
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 90547204
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 90547168

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71795481) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GMZQMXBVKDIAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-5-3-4-6-12(10)17-19-11(2)14(24-17)9-18-16(23)13-7-8-15(22)21-20-13/h3-8H,9H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71795481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).