2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide

C12H10N4O2S — CID 2955968

IUPAC2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide
SMILESO=C(CC1Sc2ncnn2C1=O)Nc1ccccc1
InChIInChI=1S/C12H10N4O2S/c17-10(15-8-4-2-1-3-5-8)6-9-11(18)16-12(19-9)13-7-14-16/h1-5,7,9H,6H2,(H,15,17)
InChIKeyJRTRLIXGJDPBSC-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide

2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide (PubChem CID 2955968) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide
PubChem CID2955968
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide
SMILESO=C(CC1Sc2ncnn2C1=O)Nc1ccccc1
InChIInChI=1S/C12H10N4O2S/c17-10(15-8-4-2-1-3-5-8)6-9-11(18)16-12(19-9)13-7-14-16/h1-5,7,9H,6H2,(H,15,17)
InChIKeyJRTRLIXGJDPBSC-UHFFFAOYSA-N
XLogP1.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide (CID 2955968) is 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide is O=C(CC1Sc2ncnn2C1=O)Nc1ccccc1.
What is the InChIKey of 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide?
The InChIKey is JRTRLIXGJDPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-10(15-8-4-2-1-3-5-8)6-9-11(18)16-12(19-9)13-7-14-16/h1-5,7,9H,6H2,(H,15,17).
What are the key properties of 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide?
2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide has a molecular weight of 274.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide is sourced from PubChem (CID 2955968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).