methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

C16H14N4O4S2 — CID 71827647

IUPACmethyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)sc1C
InChIInChI=1S/C16H14N4O4S2/c1-9-14(15(23)24-2)18-16(26-9)17-12(21)8-20-13(22)6-5-10(19-20)11-4-3-7-25-11/h3-7H,8H2,1-2H3,(H,17,18,21)
InChIKeyCQVNKXSJHSXNEJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.16
Rot. Bonds5

About methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 71827647) has the molecular formula C16H14N4O4S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID71827647
Molecular FormulaC16H14N4O4S2
Molecular Weight390.45 g/mol
Exact Mass390.05
IUPAC Namemethyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)sc1C
InChIInChI=1S/C16H14N4O4S2/c1-9-14(15(23)24-2)18-16(26-9)17-12(21)8-20-13(22)6-5-10(19-20)11-4-3-7-25-11/h3-7H,8H2,1-2H3,(H,17,18,21)
InChIKeyCQVNKXSJHSXNEJ-UHFFFAOYSA-N
XLogP2.16
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 71827647) is methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)sc1C.
What is the InChIKey of methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is CQVNKXSJHSXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S2/c1-9-14(15(23)24-2)18-16(26-9)17-12(21)8-20-13(22)6-5-10(19-20)11-4-3-7-25-11/h3-7H,8H2,1-2H3,(H,17,18,21).
What are the key properties of methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 390.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71827647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).