[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate

C12H11N3O2S2 — CID 7097826

IUPAC[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate
SMILESCc1c([C@H](C)OC(=O)c2cccs2)sc2ncnn12
InChIInChI=1S/C12H11N3O2S2/c1-7-10(19-12-13-6-14-15(7)12)8(2)17-11(16)9-4-3-5-18-9/h3-6,8H,1-2H3/t8-/m0/s1
InChIKeyUVYZDOHUECRGLI-QMMMGPOBSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds3

About [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate

[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate (PubChem CID 7097826) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate
PubChem CID7097826
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate
SMILESCc1c([C@H](C)OC(=O)c2cccs2)sc2ncnn12
InChIInChI=1S/C12H11N3O2S2/c1-7-10(19-12-13-6-14-15(7)12)8(2)17-11(16)9-4-3-5-18-9/h3-6,8H,1-2H3/t8-/m0/s1
InChIKeyUVYZDOHUECRGLI-QMMMGPOBSA-N
XLogP3.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate with MolForge

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Related Compounds

1,3-diaminopropan-2-yl thiophene-2-carboxylate
CID 139769696
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] thiophene-2-carboxylate
CID 8648821
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19296300
[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16524144
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
5-(2-diethoxyphosphoryl-1-ethoxyethyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 14062771
(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone
CID 3737291
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate?
The IUPAC name of [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate (CID 7097826) is [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate is Cc1c([C@H](C)OC(=O)c2cccs2)sc2ncnn12.
What is the InChIKey of [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate?
The InChIKey is UVYZDOHUECRGLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-7-10(19-12-13-6-14-15(7)12)8(2)17-11(16)9-4-3-5-18-9/h3-6,8H,1-2H3/t8-/m0/s1.
What are the key properties of [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate?
[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 7097826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).