3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C12H11N3S — CID 121013902

IUPAC3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCCc1nnc2scc(-c3ccccc3)n12
InChIInChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyFMUKRZNURPLEIQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.02
Rot. Bonds2

About 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 121013902) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID121013902
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCCc1nnc2scc(-c3ccccc3)n12
InChIInChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyFMUKRZNURPLEIQ-UHFFFAOYSA-N
XLogP3.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 121013902) is 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is CCc1nnc2scc(-c3ccccc3)n12.
What is the InChIKey of 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is FMUKRZNURPLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 229.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 121013902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).