ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

C14H13N7O3S — CID 71805183

IUPACethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(-n3cncn3)nn2)nc1C
InChIInChI=1S/C14H13N7O3S/c1-3-24-13(23)11-8(2)17-14(25-11)18-12(22)9-4-5-10(20-19-9)21-7-15-6-16-21/h4-7H,3H2,1-2H3,(H,17,18,22)
InChIKeyDZWIALURMSQUEV-UHFFFAOYSA-N
MW359.37 g/mol
LogP1.25
Rot. Bonds5

About ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 71805183) has the molecular formula C14H13N7O3S and a molecular weight of 359.37 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID71805183
Molecular FormulaC14H13N7O3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Nameethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(-n3cncn3)nn2)nc1C
InChIInChI=1S/C14H13N7O3S/c1-3-24-13(23)11-8(2)17-14(25-11)18-12(22)9-4-5-10(20-19-9)21-7-15-6-16-21/h4-7H,3H2,1-2H3,(H,17,18,22)
InChIKeyDZWIALURMSQUEV-UHFFFAOYSA-N
XLogP1.25
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate
CID 3236416
Ethyl 4-methyl-2-(6-(pyrrolidin-1-yl)pyridazine-3-carboxamido)thiazole-5-carboxylate
CID 71778527
ethyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiazole-4-carboxylate
CID 71805127
methyl 3-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-2-carboxylate
CID 71805169
methyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-3-carboxylate
CID 71805174
N-(5-methylthiazol-2-yl)-6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184
N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805188
ethyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxylate
CID 71805189
ethyl 2-(2-(6-(1H-imidazol-1-yl)pyridazine-3-carboxamido)thiazol-4-yl)acetate
CID 71791734
Ethyl 4-methyl-2-[[2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 20126983
Ethyl 2-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20127037
Ethyl 4-methyl-2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 20127093

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 71805183) is ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(-n3cncn3)nn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is DZWIALURMSQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O3S/c1-3-24-13(23)11-8(2)17-14(25-11)18-12(22)9-4-5-10(20-19-9)21-7-15-6-16-21/h4-7H,3H2,1-2H3,(H,17,18,22).
What are the key properties of ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 359.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71805183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).