ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate

C19H19N5O5S — CID 43993192

About ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate

ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate (PubChem CID 43993192) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
• PubChem CID: 43993192
• Molecular Formula: C19H19N5O5S
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.11
• IUPAC Name: ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
• SMILES: CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C19H19N5O5S/c1-4-28-18(27)17-14(29-10-15(25)20-19-22-21-12(3)30-19)9-16(26)24(23-17)13-8-6-5-7-11(13)2/h5-9H,4,10H2,1-3H3,(H,20,22,25)
• InChIKey: LKPCDMRJVUXEJO-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate?

The IUPAC name of ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate (CID 43993192) is ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate.

What is the SMILES notation for ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate?

The canonical SMILES for ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1nnc(C)s1.

What is the InChIKey of ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate?

The InChIKey is LKPCDMRJVUXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-4-28-18(27)17-14(29-10-15(25)20-19-22-21-12(3)30-19)9-16(26)24(23-17)13-8-6-5-7-11(13)2/h5-9H,4,10H2,1-3H3,(H,20,22,25).

What are the key properties of ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate?

ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate has a molecular weight of 429.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 43993192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).