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

C18H16N4O4S — CID 71827710

IUPACmethyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sc1C
InChIInChI=1S/C18H16N4O4S/c1-11-16(17(25)26-2)20-18(27-11)19-14(23)10-22-15(24)9-8-13(21-22)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyUTJGFZCXGKDVMV-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.10
Rot. Bonds5

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

methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 71827710) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID71827710
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Namemethyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sc1C
InChIInChI=1S/C18H16N4O4S/c1-11-16(17(25)26-2)20-18(27-11)19-14(23)10-22-15(24)9-8-13(21-22)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyUTJGFZCXGKDVMV-UHFFFAOYSA-N
XLogP2.10
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

Ethyl 4-methyl-2-(2-methyl-3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-amido)-1,3-thiazole-5-carboxylate
CID 16014558
ethyl 2-(4-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)butanamido)thiazole-4-carboxylate
CID 49675428
Methyl 2-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
CID 178255748
Methyl 2-[[2-(5-methyl-6-oxopyrimidin-1-yl)acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
CID 178293003
Methyl 5-benzyl-2-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 178293342
methyl 2-[[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
CID 178319588
Methyl 2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
CID 178320357
Methyl 2-[[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
CID 178322883
Methyl 2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
CID 75466093
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87478795
Methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-5-propyl-1,3-thiazole-4-carboxylate
CID 87479599
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87479944

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 71827710) is methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sc1C.
What is the InChIKey of methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is UTJGFZCXGKDVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-11-16(17(25)26-2)20-18(27-11)19-14(23)10-22-15(24)9-8-13(21-22)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,23).
What are the key properties of methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 384.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71827710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).