ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate

C16H15N3O3S — CID 141454205

IUPACethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate
SMILESCCOC(=O)Cc1csc2nc(=O)c(Cc3ccccc3)nn12
InChIInChI=1S/C16H15N3O3S/c1-2-22-14(20)9-12-10-23-16-17-15(21)13(18-19(12)16)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyBATPTLATRZCOGA-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate

ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate (PubChem CID 141454205) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate
PubChem CID141454205
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate
SMILESCCOC(=O)Cc1csc2nc(=O)c(Cc3ccccc3)nn12
InChIInChI=1S/C16H15N3O3S/c1-2-22-14(20)9-12-10-23-16-17-15(21)13(18-19(12)16)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyBATPTLATRZCOGA-UHFFFAOYSA-N
XLogP1.85
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate with MolForge

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Related Compounds

(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82478597
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
(2Z)-6-benzyl-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184345
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
ethyl 6-benzyl-5-methylpyridine-2-carboxylate
CID 25194907
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 2-(4,5-dimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-12-yl)acetate
CID 694417
6-benzyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184343
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate (CID 141454205) is ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate is CCOC(=O)Cc1csc2nc(=O)c(Cc3ccccc3)nn12.
What is the InChIKey of ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate?
The InChIKey is BATPTLATRZCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-22-14(20)9-12-10-23-16-17-15(21)13(18-19(12)16)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate?
ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate has a molecular weight of 329.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetate is sourced from PubChem (CID 141454205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).