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

C17H16N4O4S2 — CID 7659586

IUPACethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)nc1C
InChIInChI=1S/C17H16N4O4S2/c1-3-25-16(24)15-10(2)18-17(27-15)19-13(22)9-21-14(23)7-6-11(20-21)12-5-4-8-26-12/h4-8H,3,9H2,1-2H3,(H,18,19,22)
InChIKeyMSTKKMZFAHSUQH-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.55
Rot. Bonds6

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

ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 7659586) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID7659586
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Nameethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)nc1C
InChIInChI=1S/C17H16N4O4S2/c1-3-25-16(24)15-10(2)18-17(27-15)19-13(22)9-21-14(23)7-6-11(20-21)12-5-4-8-26-12/h4-8H,3,9H2,1-2H3,(H,18,19,22)
InChIKeyMSTKKMZFAHSUQH-UHFFFAOYSA-N
XLogP2.55
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 7659586) is ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is MSTKKMZFAHSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-3-25-16(24)15-10(2)18-17(27-15)19-13(22)9-21-14(23)7-6-11(20-21)12-5-4-8-26-12/h4-8H,3,9H2,1-2H3,(H,18,19,22).
What are the key properties of ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7659586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).