methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate

C10H9N3O3S — CID 103372984

IUPACmethyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC)nn2)s1
InChIInChI=1S/C10H9N3O3S/c1-15-8-4-3-6(12-13-8)9-11-5-7(17-9)10(14)16-2/h3-5H,1-2H3
InChIKeyDURQOGXXHYVABS-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate

methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 103372984) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID103372984
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Namemethyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC)nn2)s1
InChIInChI=1S/C10H9N3O3S/c1-15-8-4-3-6(12-13-8)9-11-5-7(17-9)10(14)16-2/h3-5H,1-2H3
InChIKeyDURQOGXXHYVABS-UHFFFAOYSA-N
XLogP1.40
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130598615
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 71859102
methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 178132972
methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
CID 90091831
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 178134364
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
methyl 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 80572561
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate (CID 103372984) is methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(OC)nn2)s1.
What is the InChIKey of methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is DURQOGXXHYVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-15-8-4-3-6(12-13-8)9-11-5-7(17-9)10(14)16-2/h3-5H,1-2H3.
What are the key properties of methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 251.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 103372984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).