2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide

C17H16N4O2S — CID 56792578

IUPAC2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)Nc2cc(-c3ccccc3)ns2)c1C
InChIInChI=1S/C17H16N4O2S/c1-10-11(2)19-21(3)17(23)15(10)16(22)18-14-9-13(20-24-14)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,22)
InChIKeyQKLJYKFJQDNLJF-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.77
Rot. Bonds3

About 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide (PubChem CID 56792578) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide
PubChem CID56792578
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)Nc2cc(-c3ccccc3)ns2)c1C
InChIInChI=1S/C17H16N4O2S/c1-10-11(2)19-21(3)17(23)15(10)16(22)18-14-9-13(20-24-14)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,22)
InChIKeyQKLJYKFJQDNLJF-UHFFFAOYSA-N
XLogP2.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
2-[3-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]phenoxy]acetic acid
CID 120523490
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
2-N-(3-phenyl-1,2-thiazol-5-yl)pyridine-2,5-dicarboxamide
CID 136529338
N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide
CID 97257659
2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
CID 97250941
1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 111578713
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 95632509

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide (CID 56792578) is 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)Nc2cc(-c3ccccc3)ns2)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide?
The InChIKey is QKLJYKFJQDNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-11(2)19-21(3)17(23)15(10)16(22)18-14-9-13(20-24-14)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,22).
What are the key properties of 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 56792578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).