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

C15H14N6O3S — CID 71791734

IUPACethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C15H14N6O3S/c1-2-24-13(22)7-10-8-25-15(17-10)18-14(23)11-3-4-12(20-19-11)21-6-5-16-9-21/h3-6,8-9H,2,7H2,1H3,(H,17,18,23)
InChIKeyMZKUAQIGBNLVDJ-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.48
Rot. Bonds6

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

ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 71791734) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID71791734
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Nameethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C15H14N6O3S/c1-2-24-13(22)7-10-8-25-15(17-10)18-14(23)11-3-4-12(20-19-11)21-6-5-16-9-21/h3-6,8-9H,2,7H2,1H3,(H,17,18,23)
InChIKeyMZKUAQIGBNLVDJ-UHFFFAOYSA-N
XLogP1.48
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 71791734) is ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(-n3ccnc3)nn2)n1.
What is the InChIKey of ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MZKUAQIGBNLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-2-24-13(22)7-10-8-25-15(17-10)18-14(23)11-3-4-12(20-19-11)21-6-5-16-9-21/h3-6,8-9H,2,7H2,1H3,(H,17,18,23).
What are the key properties of ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 358.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 71791734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).