ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C13H14N4O4S — CID 16602620

IUPACethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(=O)n(C)n2)n1
InChIInChI=1S/C13H14N4O4S/c1-3-21-11(19)6-8-7-22-13(14-8)15-12(20)9-4-5-10(18)17(2)16-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,20)
InChIKeyOLTSKMPJJRBJSA-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.59
Rot. Bonds5

About ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 16602620) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID16602620
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Nameethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(=O)n(C)n2)n1
InChIInChI=1S/C13H14N4O4S/c1-3-21-11(19)6-8-7-22-13(14-8)15-12(20)9-4-5-10(18)17(2)16-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,20)
InChIKeyOLTSKMPJJRBJSA-UHFFFAOYSA-N
XLogP0.59
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 16602620) is ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(=O)n(C)n2)n1.
What is the InChIKey of ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OLTSKMPJJRBJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-3-21-11(19)6-8-7-22-13(14-8)15-12(20)9-4-5-10(18)17(2)16-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,20).
What are the key properties of ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 322.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16602620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).