tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate

C13H15N3O2S — CID 118468585

IUPACtert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate
SMILESCc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)cnn1
InChIInChI=1S/C13H15N3O2S/c1-8-5-9(6-15-16-8)10-7-14-11(19-10)12(17)18-13(2,3)4/h5-7H,1-4H3
InChIKeySBPAZGIPXKZILU-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate

tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate (PubChem CID 118468585) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate
PubChem CID118468585
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nametert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate
SMILESCc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)cnn1
InChIInChI=1S/C13H15N3O2S/c1-8-5-9(6-15-16-8)10-7-14-11(19-10)12(17)18-13(2,3)4/h5-7H,1-4H3
InChIKeySBPAZGIPXKZILU-UHFFFAOYSA-N
XLogP2.86
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate (CID 118468585) is tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate is Cc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)cnn1.
What is the InChIKey of tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is SBPAZGIPXKZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-5-9(6-15-16-8)10-7-14-11(19-10)12(17)18-13(2,3)4/h5-7H,1-4H3.
What are the key properties of tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate?
tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(6-methylpyridazin-4-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 118468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).