diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate

C19H23N3O5S — CID 166212023

IUPACdiethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(C)nnc2CC)c(C(=O)OCC)c1C
InChIInChI=1S/C19H23N3O5S/c1-6-13-12(9-10(4)21-22-13)16(23)20-17-14(18(24)26-7-2)11(5)15(28-17)19(25)27-8-3/h9H,6-8H2,1-5H3,(H,20,23)
InChIKeyQPMXLSWBESBDBM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.32
Rot. Bonds7

About diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate

diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 166212023) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID166212023
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Namediethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(C)nnc2CC)c(C(=O)OCC)c1C
InChIInChI=1S/C19H23N3O5S/c1-6-13-12(9-10(4)21-22-13)16(23)20-17-14(18(24)26-7-2)11(5)15(28-17)19(25)27-8-3/h9H,6-8H2,1-5H3,(H,20,23)
InChIKeyQPMXLSWBESBDBM-UHFFFAOYSA-N
XLogP3.32
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1115915
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
diethyl 5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5052468
diethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
CID 1112428
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2171781
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
ethyl 5-[(2-bromobenzoyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521196
4-O-ethyl 2-O-methyl 5-[(5-bromo-2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1327584

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 166212023) is diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2cc(C)nnc2CC)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is QPMXLSWBESBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-6-13-12(9-10(4)21-22-13)16(23)20-17-14(18(24)26-7-2)11(5)15(28-17)19(25)27-8-3/h9H,6-8H2,1-5H3,(H,20,23).
What are the key properties of diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 405.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 166212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).