6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide

C16H14N4O2S — CID 90626314

IUPAC6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(C)n2)nn1
InChIInChI=1S/C16H14N4O2S/c1-10-17-14(9-23-10)11-5-3-4-6-12(11)18-16(21)13-7-8-15(22-2)20-19-13/h3-9H,1-2H3,(H,18,21)
InChIKeyFMEQAGYGRJIOBT-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds4

About 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide

6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 90626314) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
PubChem CID90626314
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(C)n2)nn1
InChIInChI=1S/C16H14N4O2S/c1-10-17-14(9-23-10)11-5-3-4-6-12(11)18-16(21)13-7-8-15(22-2)20-19-13/h3-9H,1-2H3,(H,18,21)
InChIKeyFMEQAGYGRJIOBT-UHFFFAOYSA-N
XLogP3.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
CID 86264886
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 90626205
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206
dimethyl (E)-2-[2-(2-methyl-1,3-thiazol-4-yl)anilino]but-2-enedioate
CID 168569919
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide (CID 90626314) is 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2-c2csc(C)n2)nn1.
What is the InChIKey of 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is FMEQAGYGRJIOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-17-14(9-23-10)11-5-3-4-6-12(11)18-16(21)13-7-8-15(22-2)20-19-13/h3-9H,1-2H3,(H,18,21).
What are the key properties of 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?
6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90626314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).