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

C16H14N4O2S — CID 90626205

IUPAC1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(=O)n(C)n2)cs1
InChIInChI=1S/C16H14N4O2S/c1-10-17-14(9-23-10)11-5-3-4-6-12(11)18-16(22)13-7-8-15(21)20(2)19-13/h3-9H,1-2H3,(H,18,22)
InChIKeyJSWIJUNEIYDBGB-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.46
Rot. Bonds3

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

1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 90626205) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID90626205
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(=O)n(C)n2)cs1
InChIInChI=1S/C16H14N4O2S/c1-10-17-14(9-23-10)11-5-3-4-6-12(11)18-16(22)13-7-8-15(21)20(2)19-13/h3-9H,1-2H3,(H,18,22)
InChIKeyJSWIJUNEIYDBGB-UHFFFAOYSA-N
XLogP2.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (CID 90626205) is 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(=O)n(C)n2)cs1.
What is the InChIKey of 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JSWIJUNEIYDBGB-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(22)13-7-8-15(21)20(2)19-13/h3-9H,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90626205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).