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

C16H16N4O2S — CID 8780732

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NNC(=O)CC3)n2)cc1C
InChIInChI=1S/C16H16N4O2S/c1-9-3-4-11(7-10(9)2)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyOHIDBDMWTKETRL-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.63
Rot. Bonds3

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 8780732) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID8780732
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NNC(=O)CC3)n2)cc1C
InChIInChI=1S/C16H16N4O2S/c1-9-3-4-11(7-10(9)2)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyOHIDBDMWTKETRL-UHFFFAOYSA-N
XLogP2.63
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7915380
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42997118
(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51965289
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 46667849
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 8780732) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)C3=NNC(=O)CC3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OHIDBDMWTKETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-3-4-11(7-10(9)2)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,17,18,22).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 8780732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).