methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate

C7H5N3O3S — CID 751501

IUPACmethyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate
SMILESCOC(=O)/C=c1/sc2ncnn2c1=O
InChIInChI=1S/C7H5N3O3S/c1-13-5(11)2-4-6(12)10-7(14-4)8-3-9-10/h2-3H,1H3/b4-2+
InChIKeyYZMZJIWFKDWPNH-DUXPYHPUSA-N
MW211.20 g/mol
LogP-1.18
Rot. Bonds1

About methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate

methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate (PubChem CID 751501) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate
PubChem CID751501
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Namemethyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate
SMILESCOC(=O)/C=c1/sc2ncnn2c1=O
InChIInChI=1S/C7H5N3O3S/c1-13-5(11)2-4-6(12)10-7(14-4)8-3-9-10/h2-3H,1H3/b4-2+
InChIKeyYZMZJIWFKDWPNH-DUXPYHPUSA-N
XLogP-1.18
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate (CID 751501) is methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate is COC(=O)/C=c1/sc2ncnn2c1=O.
What is the InChIKey of methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate?
The InChIKey is YZMZJIWFKDWPNH-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H5N3O3S/c1-13-5(11)2-4-6(12)10-7(14-4)8-3-9-10/h2-3H,1H3/b4-2+.
What are the key properties of methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate?
methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate has a molecular weight of 211.20 g/mol, XLogP of -1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)acetate is sourced from PubChem (CID 751501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).