N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H16N4O3S — CID 39207151

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2=NN(C)C(=O)CC2)n1
InChIInChI=1S/C16H16N4O3S/c1-20-14(21)8-7-11(19-20)15(22)18-16-17-12(9-24-16)10-5-3-4-6-13(10)23-2/h3-6,9H,7-8H2,1-2H3,(H,17,18,22)
InChIKeyDTNFDGXQOSPWPX-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.37
Rot. Bonds4

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 39207151) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID39207151
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2=NN(C)C(=O)CC2)n1
InChIInChI=1S/C16H16N4O3S/c1-20-14(21)8-7-11(19-20)15(22)18-16-17-12(9-24-16)10-5-3-4-6-13(10)23-2/h3-6,9H,7-8H2,1-2H3,(H,17,18,22)
InChIKeyDTNFDGXQOSPWPX-UHFFFAOYSA-N
XLogP2.37
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-4,5-dihydropyridazine-3-carboxamide
CID 4884176
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55722630
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55415639
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17418799
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46969790
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 39207151) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccccc1-c1csc(NC(=O)C2=NN(C)C(=O)CC2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DTNFDGXQOSPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-14(21)8-7-11(19-20)15(22)18-16-17-12(9-24-16)10-5-3-4-6-13(10)23-2/h3-6,9H,7-8H2,1-2H3,(H,17,18,22).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 39207151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).